USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 74:sc= 0.547 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.698 K(o=-0.15,f=-4.9!) USER MOD Set 2.1: A 101 GLN : amide:sc= 0.982 K(o=2.1,f=-0.67) USER MOD Set 2.2: A 105 ASN : amide:sc= 1.12 K(o=2.1,f=-0.67) USER MOD Set 3.1: A 74 ASN : amide:sc= -1.44! C(o=-1.4!,f=-8.7!) USER MOD Set 3.2: A 77 HIS : no HD1:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 4.1: A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 19 SER OG : rot -101:sc= 1.02 USER MOD Set 6.2: A 30 LYS NZ :NH3+ 159:sc= 1.15 (180deg=-0.0143) USER MOD Set 7.1: A 9 TYR OH : rot 151:sc= 0.46 USER MOD Set 7.2: A 13 LYS NZ :NH3+ 179:sc= 1.49 (180deg=0.961) USER MOD Single : A 1 MET CE :methyl -114:sc= -1.11 (180deg=-3.87!) USER MOD Single : A 1 MET N :NH3+ 132:sc= -0.146 (180deg=-0.709) USER MOD Single : A 2 THR OG1 : rot 38:sc= 0.0147 USER MOD Single : A 4 SER OG : rot 180:sc= 0.00995 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 10 CYS SG : rot 61:sc= 0.19 USER MOD Single : A 11 MET CE :methyl 158:sc= -0.214 (180deg=-0.876) USER MOD Single : A 18 GLN : amide:sc= -0.827 K(o=-0.83,f=-1.8!) USER MOD Single : A 21 HIS : no HE2:sc= 0.918 K(o=0.92,f=-6.4!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0801 K(o=-0.08,f=-1.9) USER MOD Single : A 38 MET CE :methyl 163:sc= -0.0915 (180deg=-0.619) USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -1.8! (180deg=-3.51!) USER MOD Single : A 44 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 62 GLN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 64 HIS : no HD1:sc= 0.0184 K(o=0.018,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -37:sc= 0.474 USER MOD Single : A 90 SER OG : rot 180:sc= 0.068 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 23:sc= 0.648 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 171:sc= 2.17 (180deg=2.11) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -1.84! C(o=-1.8!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.371 -13.257 9.190 1.00 0.00 N ATOM 2 CA MET A 1 -1.501 -12.534 9.822 1.00 0.00 C ATOM 3 C MET A 1 -2.665 -12.440 8.841 1.00 0.00 C ATOM 4 O MET A 1 -2.501 -12.762 7.662 1.00 0.00 O ATOM 5 CB MET A 1 -1.047 -11.139 10.277 1.00 0.00 C ATOM 6 CG MET A 1 -0.521 -10.251 9.158 1.00 0.00 C ATOM 7 SD MET A 1 -1.822 -9.341 8.302 1.00 0.00 S ATOM 8 CE MET A 1 -2.419 -8.284 9.623 1.00 0.00 C ATOM 0 H1 MET A 1 0.509 -12.723 9.339 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.280 -14.201 9.617 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.548 -13.354 8.170 1.00 0.00 H new ATOM 0 HA MET A 1 -1.836 -13.083 10.702 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.886 -10.637 10.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.268 -11.252 11.031 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.197 -9.543 9.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.018 -10.866 8.437 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.443 -8.561 9.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.783 -8.404 10.500 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.394 -7.244 9.296 1.00 0.00 H new ATOM 20 N THR A 2 -3.831 -12.009 9.313 1.00 0.00 N ATOM 21 CA THR A 2 -5.012 -11.966 8.473 1.00 0.00 C ATOM 22 C THR A 2 -5.218 -10.579 7.878 1.00 0.00 C ATOM 23 O THR A 2 -5.219 -9.572 8.589 1.00 0.00 O ATOM 24 CB THR A 2 -6.265 -12.386 9.265 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.275 -11.735 10.541 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.303 -13.895 9.457 1.00 0.00 C ATOM 0 H THR A 2 -3.978 -11.687 10.270 1.00 0.00 H new ATOM 0 HA THR A 2 -4.856 -12.672 7.657 1.00 0.00 H new ATOM 0 HB THR A 2 -7.147 -12.087 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.937 -10.820 10.444 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.196 -14.168 10.019 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.322 -14.385 8.484 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.417 -14.214 10.006 1.00 0.00 H new ATOM 34 N ILE A 3 -5.422 -10.540 6.569 1.00 0.00 N ATOM 35 CA ILE A 3 -5.609 -9.286 5.856 1.00 0.00 C ATOM 36 C ILE A 3 -6.960 -8.684 6.214 1.00 0.00 C ATOM 37 O ILE A 3 -7.170 -7.480 6.087 1.00 0.00 O ATOM 38 CB ILE A 3 -5.512 -9.492 4.328 1.00 0.00 C ATOM 39 CG1 ILE A 3 -4.201 -10.198 3.977 1.00 0.00 C ATOM 40 CG2 ILE A 3 -5.618 -8.166 3.584 1.00 0.00 C ATOM 41 CD1 ILE A 3 -2.965 -9.470 4.462 1.00 0.00 C ATOM 0 H ILE A 3 -5.462 -11.369 5.976 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.815 -8.602 6.157 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.348 -10.117 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.213 -11.200 4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.141 -10.315 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.546 -8.344 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.575 -7.697 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.808 -7.507 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.076 -10.032 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.928 -8.478 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.001 -9.376 5.547 1.00 0.00 H new ATOM 53 N SER A 4 -7.862 -9.537 6.678 1.00 0.00 N ATOM 54 CA SER A 4 -9.190 -9.117 7.104 1.00 0.00 C ATOM 55 C SER A 4 -9.106 -7.960 8.102 1.00 0.00 C ATOM 56 O SER A 4 -9.792 -6.947 7.953 1.00 0.00 O ATOM 57 CB SER A 4 -9.923 -10.305 7.728 1.00 0.00 C ATOM 58 OG SER A 4 -9.826 -11.454 6.898 1.00 0.00 O ATOM 0 H SER A 4 -7.694 -10.539 6.770 1.00 0.00 H new ATOM 0 HA SER A 4 -9.743 -8.766 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.501 -10.523 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.972 -10.050 7.882 1.00 0.00 H new ATOM 0 HG SER A 4 -10.300 -12.202 7.318 1.00 0.00 H new ATOM 64 N GLU A 5 -8.244 -8.101 9.107 1.00 0.00 N ATOM 65 CA GLU A 5 -8.090 -7.062 10.118 1.00 0.00 C ATOM 66 C GLU A 5 -7.244 -5.911 9.587 1.00 0.00 C ATOM 67 O GLU A 5 -7.499 -4.746 9.895 1.00 0.00 O ATOM 68 CB GLU A 5 -7.477 -7.637 11.391 1.00 0.00 C ATOM 69 CG GLU A 5 -8.388 -8.625 12.099 1.00 0.00 C ATOM 70 CD GLU A 5 -7.780 -9.167 13.369 1.00 0.00 C ATOM 71 OE1 GLU A 5 -7.681 -8.409 14.356 1.00 0.00 O ATOM 72 OE2 GLU A 5 -7.417 -10.360 13.395 1.00 0.00 O ATOM 0 H GLU A 5 -7.647 -8.917 9.241 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.079 -6.673 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.538 -8.132 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.237 -6.821 12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.335 -8.138 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.613 -9.453 11.426 1.00 0.00 H new ATOM 79 N LEU A 6 -6.254 -6.245 8.767 1.00 0.00 N ATOM 80 CA LEU A 6 -5.369 -5.249 8.172 1.00 0.00 C ATOM 81 C LEU A 6 -6.173 -4.278 7.308 1.00 0.00 C ATOM 82 O LEU A 6 -5.972 -3.063 7.360 1.00 0.00 O ATOM 83 CB LEU A 6 -4.288 -5.960 7.338 1.00 0.00 C ATOM 84 CG LEU A 6 -3.100 -5.100 6.875 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.454 -4.281 5.642 1.00 0.00 C ATOM 86 CD2 LEU A 6 -2.626 -4.192 8.000 1.00 0.00 C ATOM 0 H LEU A 6 -6.043 -7.206 8.497 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.884 -4.675 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.898 -6.792 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.764 -6.387 6.455 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.287 -5.775 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.592 -3.685 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.734 -4.950 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.290 -3.620 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.785 -3.592 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.440 -3.534 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.313 -4.799 8.850 1.00 0.00 H new ATOM 98 N LEU A 7 -7.092 -4.830 6.528 1.00 0.00 N ATOM 99 CA LEU A 7 -7.931 -4.040 5.637 1.00 0.00 C ATOM 100 C LEU A 7 -8.801 -3.079 6.443 1.00 0.00 C ATOM 101 O LEU A 7 -8.902 -1.896 6.115 1.00 0.00 O ATOM 102 CB LEU A 7 -8.803 -4.972 4.784 1.00 0.00 C ATOM 103 CG LEU A 7 -9.267 -4.412 3.432 1.00 0.00 C ATOM 104 CD1 LEU A 7 -9.829 -5.525 2.562 1.00 0.00 C ATOM 105 CD2 LEU A 7 -10.314 -3.325 3.621 1.00 0.00 C ATOM 0 H LEU A 7 -7.277 -5.833 6.495 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.295 -3.452 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.246 -5.891 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.685 -5.243 5.364 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.401 -3.974 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.154 -5.112 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.058 -6.276 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.679 -5.986 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.625 -2.946 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.178 -3.738 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.891 -2.511 4.209 1.00 0.00 H new ATOM 117 N GLN A 8 -9.417 -3.587 7.504 1.00 0.00 N ATOM 118 CA GLN A 8 -10.253 -2.759 8.366 1.00 0.00 C ATOM 119 C GLN A 8 -9.420 -1.650 9.002 1.00 0.00 C ATOM 120 O GLN A 8 -9.886 -0.522 9.156 1.00 0.00 O ATOM 121 CB GLN A 8 -10.924 -3.601 9.453 1.00 0.00 C ATOM 122 CG GLN A 8 -11.897 -2.804 10.311 1.00 0.00 C ATOM 123 CD GLN A 8 -12.506 -3.621 11.433 1.00 0.00 C ATOM 124 OE1 GLN A 8 -12.691 -4.833 11.312 1.00 0.00 O ATOM 125 NE2 GLN A 8 -12.834 -2.960 12.532 1.00 0.00 N ATOM 0 H GLN A 8 -9.354 -4.565 7.788 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.033 -2.310 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.456 -4.430 8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.156 -4.036 10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.378 -1.945 10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.695 -2.414 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.664 -1.956 12.593 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.256 -3.455 13.318 1.00 0.00 H new ATOM 134 N TYR A 9 -8.183 -1.979 9.353 1.00 0.00 N ATOM 135 CA TYR A 9 -7.261 -1.010 9.926 1.00 0.00 C ATOM 136 C TYR A 9 -6.943 0.100 8.921 1.00 0.00 C ATOM 137 O TYR A 9 -6.729 1.253 9.298 1.00 0.00 O ATOM 138 CB TYR A 9 -5.977 -1.705 10.384 1.00 0.00 C ATOM 139 CG TYR A 9 -4.955 -0.755 10.963 1.00 0.00 C ATOM 140 CD1 TYR A 9 -5.207 -0.075 12.147 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.746 -0.525 10.320 1.00 0.00 C ATOM 142 CE1 TYR A 9 -4.287 0.808 12.673 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.818 0.354 10.844 1.00 0.00 C ATOM 144 CZ TYR A 9 -3.096 1.018 12.020 1.00 0.00 C ATOM 145 OH TYR A 9 -2.181 1.907 12.536 1.00 0.00 O ATOM 0 H TYR A 9 -7.795 -2.916 9.249 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.738 -0.554 10.793 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.227 -2.458 11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.535 -2.231 9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.140 -0.240 12.665 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.528 -1.041 9.397 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.501 1.331 13.593 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.880 0.520 10.335 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.276 1.628 12.285 1.00 0.00 H new ATOM 155 N CYS A 10 -6.924 -0.250 7.640 1.00 0.00 N ATOM 156 CA CYS A 10 -6.686 0.728 6.583 1.00 0.00 C ATOM 157 C CYS A 10 -7.865 1.689 6.471 1.00 0.00 C ATOM 158 O CYS A 10 -7.709 2.837 6.061 1.00 0.00 O ATOM 159 CB CYS A 10 -6.450 0.022 5.245 1.00 0.00 C ATOM 160 SG CYS A 10 -5.050 -1.118 5.259 1.00 0.00 S ATOM 0 H CYS A 10 -7.070 -1.203 7.307 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.794 1.300 6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.351 -0.527 4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.287 0.773 4.472 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.264 -2.057 6.132 1.00 0.00 H new ATOM 166 N MET A 11 -9.042 1.217 6.864 1.00 0.00 N ATOM 167 CA MET A 11 -10.244 2.042 6.842 1.00 0.00 C ATOM 168 C MET A 11 -10.287 2.959 8.060 1.00 0.00 C ATOM 169 O MET A 11 -11.122 3.861 8.145 1.00 0.00 O ATOM 170 CB MET A 11 -11.501 1.167 6.806 1.00 0.00 C ATOM 171 CG MET A 11 -11.626 0.322 5.551 1.00 0.00 C ATOM 172 SD MET A 11 -13.134 -0.673 5.537 1.00 0.00 S ATOM 173 CE MET A 11 -14.386 0.608 5.622 1.00 0.00 C ATOM 0 H MET A 11 -9.190 0.266 7.202 1.00 0.00 H new ATOM 0 HA MET A 11 -10.216 2.653 5.940 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.500 0.510 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.380 1.806 6.891 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.615 0.972 4.676 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.760 -0.335 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 11 -15.330 0.220 5.239 1.00 0.00 H new ATOM 0 HE2 MET A 11 -14.516 0.921 6.658 1.00 0.00 H new ATOM 0 HE3 MET A 11 -14.074 1.462 5.021 1.00 0.00 H new ATOM 183 N ALA A 12 -9.386 2.719 9.002 1.00 0.00 N ATOM 184 CA ALA A 12 -9.284 3.551 10.192 1.00 0.00 C ATOM 185 C ALA A 12 -8.352 4.729 9.938 1.00 0.00 C ATOM 186 O ALA A 12 -8.129 5.564 10.816 1.00 0.00 O ATOM 187 CB ALA A 12 -8.794 2.728 11.372 1.00 0.00 C ATOM 0 H ALA A 12 -8.714 1.953 8.965 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.274 3.940 10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.723 3.364 12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.495 1.916 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.812 2.313 11.144 1.00 0.00 H new ATOM 193 N LYS A 13 -7.802 4.781 8.732 1.00 0.00 N ATOM 194 CA LYS A 13 -6.965 5.895 8.323 1.00 0.00 C ATOM 195 C LYS A 13 -7.840 6.964 7.673 1.00 0.00 C ATOM 196 O LYS A 13 -8.481 6.709 6.651 1.00 0.00 O ATOM 197 CB LYS A 13 -5.879 5.427 7.348 1.00 0.00 C ATOM 198 CG LYS A 13 -4.986 4.321 7.898 1.00 0.00 C ATOM 199 CD LYS A 13 -4.157 4.786 9.088 1.00 0.00 C ATOM 200 CE LYS A 13 -3.313 3.648 9.644 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.427 4.086 10.760 1.00 0.00 N ATOM 0 H LYS A 13 -7.923 4.061 8.020 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.470 6.313 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.355 5.074 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.257 6.280 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.603 3.474 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.321 3.969 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.510 5.609 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.816 5.169 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.969 2.852 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.703 3.228 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.886 3.271 11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.770 4.815 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.006 4.478 11.530 1.00 0.00 H new ATOM 215 N PRO A 14 -7.894 8.160 8.275 1.00 0.00 N ATOM 216 CA PRO A 14 -8.777 9.242 7.821 1.00 0.00 C ATOM 217 C PRO A 14 -8.456 9.731 6.411 1.00 0.00 C ATOM 218 O PRO A 14 -7.393 10.300 6.159 1.00 0.00 O ATOM 219 CB PRO A 14 -8.540 10.358 8.845 1.00 0.00 C ATOM 220 CG PRO A 14 -7.221 10.049 9.464 1.00 0.00 C ATOM 221 CD PRO A 14 -7.095 8.555 9.447 1.00 0.00 C ATOM 0 HA PRO A 14 -9.813 8.908 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.530 11.337 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.331 10.379 9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.409 10.515 8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.169 10.433 10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.056 8.240 9.350 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.479 8.109 10.364 1.00 0.00 H new ATOM 229 N GLY A 15 -9.380 9.487 5.489 1.00 0.00 N ATOM 230 CA GLY A 15 -9.225 9.969 4.133 1.00 0.00 C ATOM 231 C GLY A 15 -9.118 8.844 3.126 1.00 0.00 C ATOM 232 O GLY A 15 -9.176 9.076 1.919 1.00 0.00 O ATOM 0 H GLY A 15 -10.237 8.961 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.075 10.602 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.333 10.593 4.072 1.00 0.00 H new ATOM 236 N ALA A 16 -8.971 7.621 3.620 1.00 0.00 N ATOM 237 CA ALA A 16 -8.794 6.467 2.752 1.00 0.00 C ATOM 238 C ALA A 16 -10.127 5.782 2.450 1.00 0.00 C ATOM 239 O ALA A 16 -10.887 5.441 3.358 1.00 0.00 O ATOM 240 CB ALA A 16 -7.822 5.481 3.380 1.00 0.00 C ATOM 0 H ALA A 16 -8.971 7.404 4.617 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.382 6.820 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.698 4.622 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.857 5.966 3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.213 5.147 4.341 1.00 0.00 H new ATOM 246 N GLU A 17 -10.406 5.591 1.169 1.00 0.00 N ATOM 247 CA GLU A 17 -11.599 4.877 0.738 1.00 0.00 C ATOM 248 C GLU A 17 -11.193 3.713 -0.168 1.00 0.00 C ATOM 249 O GLU A 17 -10.119 3.732 -0.774 1.00 0.00 O ATOM 250 CB GLU A 17 -12.560 5.836 0.015 1.00 0.00 C ATOM 251 CG GLU A 17 -13.823 5.180 -0.535 1.00 0.00 C ATOM 252 CD GLU A 17 -14.668 4.502 0.530 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.456 3.297 0.789 1.00 0.00 O ATOM 254 OE2 GLU A 17 -15.564 5.160 1.098 1.00 0.00 O ATOM 0 H GLU A 17 -9.818 5.923 0.405 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.121 4.476 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.850 6.627 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.026 6.311 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.426 5.936 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.542 4.443 -1.288 1.00 0.00 H new ATOM 261 N GLN A 18 -12.047 2.704 -0.248 1.00 0.00 N ATOM 262 CA GLN A 18 -11.763 1.513 -1.032 1.00 0.00 C ATOM 263 C GLN A 18 -12.263 1.675 -2.459 1.00 0.00 C ATOM 264 O GLN A 18 -13.449 1.905 -2.688 1.00 0.00 O ATOM 265 CB GLN A 18 -12.439 0.295 -0.404 1.00 0.00 C ATOM 266 CG GLN A 18 -12.007 0.012 1.023 1.00 0.00 C ATOM 267 CD GLN A 18 -12.827 -1.086 1.664 1.00 0.00 C ATOM 268 OE1 GLN A 18 -12.499 -2.267 1.559 1.00 0.00 O ATOM 269 NE2 GLN A 18 -13.903 -0.708 2.332 1.00 0.00 N ATOM 0 H GLN A 18 -12.950 2.688 0.225 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.683 1.369 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.519 0.443 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.226 -0.581 -1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.954 -0.271 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.097 0.923 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.142 0.282 2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.495 -1.406 2.783 1.00 0.00 H new ATOM 278 N SER A 19 -11.359 1.571 -3.410 1.00 0.00 N ATOM 279 CA SER A 19 -11.732 1.584 -4.809 1.00 0.00 C ATOM 280 C SER A 19 -11.471 0.213 -5.418 1.00 0.00 C ATOM 281 O SER A 19 -10.324 -0.159 -5.659 1.00 0.00 O ATOM 282 CB SER A 19 -10.939 2.656 -5.554 1.00 0.00 C ATOM 283 OG SER A 19 -11.024 3.909 -4.890 1.00 0.00 O ATOM 0 H SER A 19 -10.358 1.476 -3.239 1.00 0.00 H new ATOM 0 HA SER A 19 -12.793 1.816 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.895 2.352 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.319 2.753 -6.571 1.00 0.00 H new ATOM 0 HG SER A 19 -11.677 4.478 -5.348 1.00 0.00 H new ATOM 289 N VAL A 20 -12.527 -0.548 -5.640 1.00 0.00 N ATOM 290 CA VAL A 20 -12.379 -1.902 -6.147 1.00 0.00 C ATOM 291 C VAL A 20 -12.446 -1.925 -7.671 1.00 0.00 C ATOM 292 O VAL A 20 -13.386 -1.412 -8.277 1.00 0.00 O ATOM 293 CB VAL A 20 -13.438 -2.860 -5.543 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.857 -2.400 -5.859 1.00 0.00 C ATOM 295 CG2 VAL A 20 -13.209 -4.288 -6.023 1.00 0.00 C ATOM 0 H VAL A 20 -13.491 -0.255 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.396 -2.256 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.322 -2.839 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.571 -3.096 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.018 -1.405 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.998 -2.370 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.963 -4.944 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.282 -4.323 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.218 -4.621 -5.716 1.00 0.00 H new ATOM 305 N HIS A 21 -11.422 -2.495 -8.283 1.00 0.00 N ATOM 306 CA HIS A 21 -11.396 -2.652 -9.725 1.00 0.00 C ATOM 307 C HIS A 21 -11.996 -4.003 -10.083 1.00 0.00 C ATOM 308 O HIS A 21 -11.408 -5.048 -9.785 1.00 0.00 O ATOM 309 CB HIS A 21 -9.966 -2.545 -10.252 1.00 0.00 C ATOM 310 CG HIS A 21 -9.860 -1.779 -11.537 1.00 0.00 C ATOM 311 ND1 HIS A 21 -9.997 -2.355 -12.783 1.00 0.00 N ATOM 312 CD2 HIS A 21 -9.623 -0.467 -11.761 1.00 0.00 C ATOM 313 CE1 HIS A 21 -9.845 -1.433 -13.711 1.00 0.00 C ATOM 314 NE2 HIS A 21 -9.617 -0.278 -13.119 1.00 0.00 N ATOM 0 H HIS A 21 -10.598 -2.856 -7.803 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.982 -1.858 -10.188 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.344 -2.063 -9.498 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.566 -3.548 -10.401 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -10.187 -3.342 -12.958 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.467 0.292 -11.009 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.898 -1.596 -14.777 1.00 0.00 H new ATOM 323 N ASN A 22 -13.168 -3.986 -10.706 1.00 0.00 N ATOM 324 CA ASN A 22 -13.922 -5.214 -10.943 1.00 0.00 C ATOM 325 C ASN A 22 -13.354 -6.010 -12.116 1.00 0.00 C ATOM 326 O ASN A 22 -13.859 -5.947 -13.237 1.00 0.00 O ATOM 327 CB ASN A 22 -15.406 -4.910 -11.169 1.00 0.00 C ATOM 328 CG ASN A 22 -16.254 -6.166 -11.232 1.00 0.00 C ATOM 329 OD1 ASN A 22 -15.943 -7.173 -10.593 1.00 0.00 O ATOM 330 ND2 ASN A 22 -17.333 -6.117 -11.992 1.00 0.00 N ATOM 0 H ASN A 22 -13.617 -3.139 -11.056 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.826 -5.829 -10.048 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.769 -4.271 -10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.522 -4.351 -12.097 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.943 -6.931 -12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.557 -5.265 -12.506 1.00 0.00 H new ATOM 337 N ASP A 23 -12.275 -6.720 -11.838 1.00 0.00 N ATOM 338 CA ASP A 23 -11.692 -7.674 -12.776 1.00 0.00 C ATOM 339 C ASP A 23 -11.318 -8.927 -12.004 1.00 0.00 C ATOM 340 O ASP A 23 -11.924 -9.986 -12.159 1.00 0.00 O ATOM 341 CB ASP A 23 -10.431 -7.112 -13.445 1.00 0.00 C ATOM 342 CG ASP A 23 -10.658 -5.812 -14.184 1.00 0.00 C ATOM 343 OD1 ASP A 23 -10.995 -5.850 -15.385 1.00 0.00 O ATOM 344 OD2 ASP A 23 -10.454 -4.742 -13.573 1.00 0.00 O ATOM 0 H ASP A 23 -11.773 -6.654 -10.952 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.422 -7.887 -13.557 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.666 -6.957 -12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.041 -7.853 -14.143 1.00 0.00 H new ATOM 349 N TRP A 24 -10.307 -8.779 -11.161 1.00 0.00 N ATOM 350 CA TRP A 24 -9.926 -9.808 -10.206 1.00 0.00 C ATOM 351 C TRP A 24 -10.056 -9.250 -8.791 1.00 0.00 C ATOM 352 O TRP A 24 -9.470 -9.764 -7.842 1.00 0.00 O ATOM 353 CB TRP A 24 -8.501 -10.337 -10.485 1.00 0.00 C ATOM 354 CG TRP A 24 -7.428 -9.284 -10.631 1.00 0.00 C ATOM 355 CD1 TRP A 24 -7.483 -8.148 -11.390 1.00 0.00 C ATOM 356 CD2 TRP A 24 -6.116 -9.303 -10.044 1.00 0.00 C ATOM 357 NE1 TRP A 24 -6.308 -7.449 -11.288 1.00 0.00 N ATOM 358 CE2 TRP A 24 -5.452 -8.136 -10.470 1.00 0.00 C ATOM 359 CE3 TRP A 24 -5.443 -10.181 -9.187 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -4.149 -7.836 -10.081 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -4.150 -9.880 -8.804 1.00 0.00 C ATOM 362 CH2 TRP A 24 -3.517 -8.714 -9.247 1.00 0.00 C ATOM 0 H TRP A 24 -9.727 -7.941 -11.120 1.00 0.00 H new ATOM 0 HA TRP A 24 -10.597 -10.661 -10.311 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.217 -11.008 -9.674 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -8.527 -10.932 -11.398 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.331 -7.844 -11.985 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.105 -6.561 -11.747 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.926 -11.079 -8.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.655 -6.940 -10.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.619 -10.557 -8.151 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.508 -8.504 -8.923 1.00 0.00 H new ATOM 373 N LYS A 25 -10.866 -8.191 -8.684 1.00 0.00 N ATOM 374 CA LYS A 25 -11.178 -7.529 -7.415 1.00 0.00 C ATOM 375 C LYS A 25 -9.943 -6.931 -6.748 1.00 0.00 C ATOM 376 O LYS A 25 -9.799 -6.977 -5.527 1.00 0.00 O ATOM 377 CB LYS A 25 -11.912 -8.477 -6.457 1.00 0.00 C ATOM 378 CG LYS A 25 -13.373 -8.685 -6.828 1.00 0.00 C ATOM 379 CD LYS A 25 -14.161 -9.331 -5.701 1.00 0.00 C ATOM 380 CE LYS A 25 -13.799 -10.793 -5.517 1.00 0.00 C ATOM 381 NZ LYS A 25 -14.559 -11.403 -4.396 1.00 0.00 N ATOM 0 H LYS A 25 -11.329 -7.765 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.844 -6.700 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.404 -9.441 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.853 -8.078 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.823 -7.725 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.435 -9.310 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.973 -8.792 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.227 -9.245 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.005 -11.339 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.730 -10.883 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.289 -12.402 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.343 -10.896 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.578 -11.338 -4.592 1.00 0.00 H new ATOM 395 N ALA A 26 -9.075 -6.337 -7.553 1.00 0.00 N ATOM 396 CA ALA A 26 -7.955 -5.582 -7.023 1.00 0.00 C ATOM 397 C ALA A 26 -8.473 -4.332 -6.320 1.00 0.00 C ATOM 398 O ALA A 26 -9.155 -3.507 -6.933 1.00 0.00 O ATOM 399 CB ALA A 26 -6.997 -5.211 -8.144 1.00 0.00 C ATOM 0 H ALA A 26 -9.126 -6.364 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.413 -6.193 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.160 -4.645 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.624 -6.118 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.520 -4.604 -8.883 1.00 0.00 H new ATOM 405 N THR A 27 -8.171 -4.197 -5.038 1.00 0.00 N ATOM 406 CA THR A 27 -8.688 -3.086 -4.262 1.00 0.00 C ATOM 407 C THR A 27 -7.634 -1.993 -4.100 1.00 0.00 C ATOM 408 O THR A 27 -6.578 -2.210 -3.505 1.00 0.00 O ATOM 409 CB THR A 27 -9.163 -3.564 -2.876 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.063 -4.669 -3.030 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.858 -2.441 -2.117 1.00 0.00 C ATOM 0 H THR A 27 -7.574 -4.840 -4.517 1.00 0.00 H new ATOM 0 HA THR A 27 -9.538 -2.671 -4.804 1.00 0.00 H new ATOM 0 HB THR A 27 -8.289 -3.875 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.362 -4.972 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.183 -2.807 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.165 -1.611 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.725 -2.101 -2.684 1.00 0.00 H new ATOM 419 N GLN A 28 -7.932 -0.819 -4.631 1.00 0.00 N ATOM 420 CA GLN A 28 -7.033 0.316 -4.543 1.00 0.00 C ATOM 421 C GLN A 28 -7.396 1.176 -3.341 1.00 0.00 C ATOM 422 O GLN A 28 -8.527 1.649 -3.227 1.00 0.00 O ATOM 423 CB GLN A 28 -7.113 1.154 -5.822 1.00 0.00 C ATOM 424 CG GLN A 28 -6.758 0.383 -7.084 1.00 0.00 C ATOM 425 CD GLN A 28 -6.972 1.202 -8.346 1.00 0.00 C ATOM 426 OE1 GLN A 28 -7.839 2.071 -8.393 1.00 0.00 O ATOM 427 NE2 GLN A 28 -6.184 0.931 -9.377 1.00 0.00 N ATOM 0 H GLN A 28 -8.799 -0.628 -5.132 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.014 -0.053 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.123 1.551 -5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.442 2.008 -5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.716 0.067 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.363 -0.522 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.475 0.202 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.286 1.452 -10.248 1.00 0.00 H new ATOM 436 N ILE A 29 -6.444 1.363 -2.441 1.00 0.00 N ATOM 437 CA ILE A 29 -6.655 2.211 -1.279 1.00 0.00 C ATOM 438 C ILE A 29 -6.077 3.591 -1.555 1.00 0.00 C ATOM 439 O ILE A 29 -4.856 3.769 -1.609 1.00 0.00 O ATOM 440 CB ILE A 29 -6.000 1.611 -0.011 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.490 0.176 0.211 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.314 2.471 1.205 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.818 -0.527 1.374 1.00 0.00 C ATOM 0 H ILE A 29 -5.518 0.939 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.727 2.283 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.919 1.593 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.567 0.192 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.319 -0.401 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.847 2.036 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.927 3.478 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.393 2.516 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.217 -1.537 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.743 -0.576 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.010 0.026 2.293 1.00 0.00 H new ATOM 455 N LYS A 30 -6.948 4.563 -1.750 1.00 0.00 N ATOM 456 CA LYS A 30 -6.511 5.891 -2.128 1.00 0.00 C ATOM 457 C LYS A 30 -7.504 6.950 -1.688 1.00 0.00 C ATOM 458 O LYS A 30 -8.619 6.636 -1.269 1.00 0.00 O ATOM 459 CB LYS A 30 -6.290 5.968 -3.643 1.00 0.00 C ATOM 460 CG LYS A 30 -7.434 5.425 -4.486 1.00 0.00 C ATOM 461 CD LYS A 30 -7.117 5.556 -5.968 1.00 0.00 C ATOM 462 CE LYS A 30 -8.120 4.820 -6.842 1.00 0.00 C ATOM 463 NZ LYS A 30 -9.506 5.329 -6.679 1.00 0.00 N ATOM 0 H LYS A 30 -7.958 4.458 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.567 6.087 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.118 7.009 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.382 5.418 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.611 4.378 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.351 5.967 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.105 6.611 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.117 5.166 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.823 4.914 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.097 3.758 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.072 5.068 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.931 4.911 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.487 6.365 -6.584 1.00 0.00 H new ATOM 477 N VAL A 31 -7.080 8.201 -1.776 1.00 0.00 N ATOM 478 CA VAL A 31 -7.938 9.327 -1.461 1.00 0.00 C ATOM 479 C VAL A 31 -8.698 9.760 -2.719 1.00 0.00 C ATOM 480 O VAL A 31 -9.036 8.915 -3.549 1.00 0.00 O ATOM 481 CB VAL A 31 -7.116 10.506 -0.879 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.487 10.115 0.451 1.00 0.00 C ATOM 483 CG2 VAL A 31 -6.041 10.956 -1.858 1.00 0.00 C ATOM 0 H VAL A 31 -6.137 8.461 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.656 9.021 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.797 11.340 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.914 10.955 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.271 9.847 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.825 9.262 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.479 11.784 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.365 10.126 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.508 11.281 -2.788 1.00 0.00 H new ATOM 493 N GLU A 32 -8.958 11.059 -2.855 1.00 0.00 N ATOM 494 CA GLU A 32 -9.695 11.598 -4.000 1.00 0.00 C ATOM 495 C GLU A 32 -9.141 11.082 -5.329 1.00 0.00 C ATOM 496 O GLU A 32 -9.898 10.572 -6.154 1.00 0.00 O ATOM 497 CB GLU A 32 -9.663 13.126 -3.977 1.00 0.00 C ATOM 498 CG GLU A 32 -10.239 13.725 -2.706 1.00 0.00 C ATOM 499 CD GLU A 32 -10.221 15.241 -2.719 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.141 15.825 -2.498 1.00 0.00 O ATOM 501 OE2 GLU A 32 -11.281 15.854 -2.959 1.00 0.00 O ATOM 0 H GLU A 32 -8.666 11.765 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.726 11.256 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.632 13.462 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.220 13.506 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.264 13.378 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.670 13.365 -1.848 1.00 0.00 H new ATOM 508 N ASP A 33 -7.829 11.209 -5.542 1.00 0.00 N ATOM 509 CA ASP A 33 -7.212 10.671 -6.762 1.00 0.00 C ATOM 510 C ASP A 33 -5.732 10.348 -6.543 1.00 0.00 C ATOM 511 O ASP A 33 -4.967 10.190 -7.495 1.00 0.00 O ATOM 512 CB ASP A 33 -7.370 11.654 -7.934 1.00 0.00 C ATOM 513 CG ASP A 33 -7.127 11.001 -9.289 1.00 0.00 C ATOM 514 OD1 ASP A 33 -7.962 10.170 -9.711 1.00 0.00 O ATOM 515 OD2 ASP A 33 -6.107 11.312 -9.942 1.00 0.00 O ATOM 0 H ASP A 33 -7.182 11.670 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.730 9.744 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.374 12.077 -7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.673 12.482 -7.804 1.00 0.00 H new ATOM 520 N VAL A 34 -5.329 10.225 -5.287 1.00 0.00 N ATOM 521 CA VAL A 34 -3.940 9.909 -4.972 1.00 0.00 C ATOM 522 C VAL A 34 -3.823 8.480 -4.456 1.00 0.00 C ATOM 523 O VAL A 34 -4.229 8.179 -3.332 1.00 0.00 O ATOM 524 CB VAL A 34 -3.348 10.887 -3.929 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.884 10.570 -3.655 1.00 0.00 C ATOM 526 CG2 VAL A 34 -3.504 12.331 -4.396 1.00 0.00 C ATOM 0 H VAL A 34 -5.936 10.338 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.369 10.012 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.902 10.763 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.491 11.271 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.798 9.554 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.314 10.657 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.082 13.003 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.980 12.466 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.562 12.558 -4.531 1.00 0.00 H new ATOM 536 N LEU A 35 -3.286 7.605 -5.293 1.00 0.00 N ATOM 537 CA LEU A 35 -3.132 6.198 -4.951 1.00 0.00 C ATOM 538 C LEU A 35 -1.741 5.934 -4.393 1.00 0.00 C ATOM 539 O LEU A 35 -0.740 6.189 -5.061 1.00 0.00 O ATOM 540 CB LEU A 35 -3.378 5.332 -6.189 1.00 0.00 C ATOM 541 CG LEU A 35 -3.209 3.820 -5.985 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.154 3.308 -4.912 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.453 3.080 -7.291 1.00 0.00 C ATOM 0 H LEU A 35 -2.946 7.848 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.864 5.941 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.390 5.521 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.696 5.653 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.186 3.635 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.015 2.234 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.943 3.814 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.184 3.508 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.330 2.009 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.466 3.281 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.738 3.419 -8.041 1.00 0.00 H new ATOM 555 N PHE A 36 -1.680 5.430 -3.168 1.00 0.00 N ATOM 556 CA PHE A 36 -0.402 5.152 -2.533 1.00 0.00 C ATOM 557 C PHE A 36 -0.167 3.648 -2.381 1.00 0.00 C ATOM 558 O PHE A 36 0.977 3.192 -2.400 1.00 0.00 O ATOM 559 CB PHE A 36 -0.303 5.862 -1.173 1.00 0.00 C ATOM 560 CG PHE A 36 -1.383 5.503 -0.182 1.00 0.00 C ATOM 561 CD1 PHE A 36 -2.606 6.164 -0.189 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.164 4.525 0.775 1.00 0.00 C ATOM 563 CE1 PHE A 36 -3.584 5.851 0.737 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.139 4.205 1.700 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.349 4.869 1.682 1.00 0.00 C ATOM 0 H PHE A 36 -2.496 5.207 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 36 0.382 5.543 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.666 5.631 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.329 6.939 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.794 6.931 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.217 4.005 0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.530 6.372 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.955 3.436 2.436 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.112 4.622 2.405 1.00 0.00 H new ATOM 575 N ALA A 37 -1.245 2.881 -2.246 1.00 0.00 N ATOM 576 CA ALA A 37 -1.135 1.436 -2.079 1.00 0.00 C ATOM 577 C ALA A 37 -2.418 0.733 -2.513 1.00 0.00 C ATOM 578 O ALA A 37 -3.516 1.253 -2.324 1.00 0.00 O ATOM 579 CB ALA A 37 -0.806 1.088 -0.632 1.00 0.00 C ATOM 0 H ALA A 37 -2.202 3.235 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.323 1.086 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.728 0.006 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.142 1.549 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.596 1.460 0.020 1.00 0.00 H new ATOM 585 N MET A 38 -2.273 -0.441 -3.103 1.00 0.00 N ATOM 586 CA MET A 38 -3.422 -1.233 -3.530 1.00 0.00 C ATOM 587 C MET A 38 -3.188 -2.712 -3.251 1.00 0.00 C ATOM 588 O MET A 38 -2.102 -3.236 -3.501 1.00 0.00 O ATOM 589 CB MET A 38 -3.718 -0.999 -5.018 1.00 0.00 C ATOM 590 CG MET A 38 -2.505 -1.140 -5.923 1.00 0.00 C ATOM 591 SD MET A 38 -2.901 -0.851 -7.660 1.00 0.00 S ATOM 592 CE MET A 38 -1.261 -0.832 -8.383 1.00 0.00 C ATOM 0 H MET A 38 -1.369 -0.871 -3.299 1.00 0.00 H new ATOM 0 HA MET A 38 -4.292 -0.912 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.482 -1.706 -5.341 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.135 0.000 -5.141 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.736 -0.435 -5.607 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.086 -2.140 -5.811 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.337 -0.966 -9.462 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.780 0.123 -8.169 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.667 -1.641 -7.958 1.00 0.00 H new ATOM 602 N VAL A 39 -4.205 -3.378 -2.726 1.00 0.00 N ATOM 603 CA VAL A 39 -4.093 -4.780 -2.348 1.00 0.00 C ATOM 604 C VAL A 39 -4.756 -5.677 -3.394 1.00 0.00 C ATOM 605 O VAL A 39 -5.852 -5.386 -3.877 1.00 0.00 O ATOM 606 CB VAL A 39 -4.706 -5.040 -0.948 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.190 -4.696 -0.913 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.478 -6.481 -0.513 1.00 0.00 C ATOM 0 H VAL A 39 -5.122 -2.968 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.032 -5.024 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.197 -4.383 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.585 -4.891 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.325 -3.642 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.723 -5.308 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.917 -6.638 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.945 -7.156 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.408 -6.683 -0.469 1.00 0.00 H new ATOM 618 N LYS A 40 -4.065 -6.750 -3.767 1.00 0.00 N ATOM 619 CA LYS A 40 -4.560 -7.677 -4.778 1.00 0.00 C ATOM 620 C LYS A 40 -4.027 -9.071 -4.494 1.00 0.00 C ATOM 621 O LYS A 40 -2.812 -9.281 -4.509 1.00 0.00 O ATOM 622 CB LYS A 40 -4.115 -7.299 -6.202 1.00 0.00 C ATOM 623 CG LYS A 40 -3.909 -5.815 -6.473 1.00 0.00 C ATOM 624 CD LYS A 40 -2.573 -5.293 -5.940 1.00 0.00 C ATOM 625 CE LYS A 40 -1.376 -6.080 -6.466 1.00 0.00 C ATOM 626 NZ LYS A 40 -1.165 -7.359 -5.729 1.00 0.00 N ATOM 0 H LYS A 40 -3.155 -7.000 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.648 -7.637 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.182 -7.819 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.859 -7.675 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.961 -5.636 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.722 -5.251 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.462 -4.244 -6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.580 -5.337 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.523 -6.294 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.479 -5.466 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.174 -7.422 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.790 -7.388 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.384 -8.160 -6.355 1.00 0.00 H new ATOM 640 N GLU A 41 -4.917 -10.015 -4.272 1.00 0.00 N ATOM 641 CA GLU A 41 -4.512 -11.384 -3.977 1.00 0.00 C ATOM 642 C GLU A 41 -4.217 -12.157 -5.256 1.00 0.00 C ATOM 643 O GLU A 41 -5.103 -12.400 -6.075 1.00 0.00 O ATOM 644 CB GLU A 41 -5.582 -12.103 -3.151 1.00 0.00 C ATOM 645 CG GLU A 41 -5.496 -11.821 -1.656 1.00 0.00 C ATOM 646 CD GLU A 41 -5.551 -10.343 -1.322 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.673 -9.809 -1.191 1.00 0.00 O ATOM 648 OE2 GLU A 41 -4.476 -9.719 -1.191 1.00 0.00 O ATOM 0 H GLU A 41 -5.926 -9.866 -4.289 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.595 -11.340 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.567 -11.806 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.493 -13.177 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.314 -12.332 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.568 -12.240 -1.267 1.00 0.00 H new ATOM 655 N VAL A 42 -2.961 -12.530 -5.421 1.00 0.00 N ATOM 656 CA VAL A 42 -2.532 -13.324 -6.557 1.00 0.00 C ATOM 657 C VAL A 42 -1.994 -14.655 -6.045 1.00 0.00 C ATOM 658 O VAL A 42 -1.405 -14.701 -4.966 1.00 0.00 O ATOM 659 CB VAL A 42 -1.464 -12.580 -7.400 1.00 0.00 C ATOM 660 CG1 VAL A 42 -0.235 -12.250 -6.561 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.081 -13.388 -8.633 1.00 0.00 C ATOM 0 H VAL A 42 -2.211 -12.291 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.384 -13.500 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.901 -11.640 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.497 -11.729 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.525 -11.613 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.203 -13.172 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.331 -12.843 -9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.674 -14.351 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.964 -13.549 -9.251 1.00 0.00 H new ATOM 671 N GLU A 43 -2.244 -15.737 -6.787 1.00 0.00 N ATOM 672 CA GLU A 43 -1.933 -17.095 -6.321 1.00 0.00 C ATOM 673 C GLU A 43 -2.819 -17.442 -5.126 1.00 0.00 C ATOM 674 O GLU A 43 -2.558 -18.404 -4.403 1.00 0.00 O ATOM 675 CB GLU A 43 -0.455 -17.230 -5.927 1.00 0.00 C ATOM 676 CG GLU A 43 0.527 -17.031 -7.069 1.00 0.00 C ATOM 677 CD GLU A 43 1.961 -17.011 -6.581 1.00 0.00 C ATOM 678 OE1 GLU A 43 2.347 -17.928 -5.825 1.00 0.00 O ATOM 679 OE2 GLU A 43 2.701 -16.065 -6.923 1.00 0.00 O ATOM 0 H GLU A 43 -2.662 -15.701 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.127 -17.787 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.234 -16.504 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.296 -18.219 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.403 -17.831 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.304 -16.095 -7.581 1.00 0.00 H new ATOM 686 N ASN A 44 -3.876 -16.639 -4.952 1.00 0.00 N ATOM 687 CA ASN A 44 -4.759 -16.700 -3.783 1.00 0.00 C ATOM 688 C ASN A 44 -4.005 -16.252 -2.528 1.00 0.00 C ATOM 689 O ASN A 44 -4.484 -16.393 -1.404 1.00 0.00 O ATOM 690 CB ASN A 44 -5.349 -18.107 -3.594 1.00 0.00 C ATOM 691 CG ASN A 44 -6.532 -18.115 -2.642 1.00 0.00 C ATOM 692 OD1 ASN A 44 -7.274 -17.136 -2.552 1.00 0.00 O ATOM 693 ND2 ASN A 44 -6.723 -19.214 -1.929 1.00 0.00 N ATOM 0 H ASN A 44 -4.144 -15.922 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.593 -16.019 -3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.662 -18.500 -4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.576 -18.774 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.506 -19.270 -1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.087 -20.005 -2.031 1.00 0.00 H new ATOM 700 N ARG A 45 -2.826 -15.681 -2.737 1.00 0.00 N ATOM 701 CA ARG A 45 -2.007 -15.188 -1.643 1.00 0.00 C ATOM 702 C ARG A 45 -2.036 -13.665 -1.618 1.00 0.00 C ATOM 703 O ARG A 45 -1.905 -13.017 -2.656 1.00 0.00 O ATOM 704 CB ARG A 45 -0.561 -15.685 -1.771 1.00 0.00 C ATOM 705 CG ARG A 45 -0.426 -17.200 -1.719 1.00 0.00 C ATOM 706 CD ARG A 45 1.033 -17.637 -1.622 1.00 0.00 C ATOM 707 NE ARG A 45 1.817 -17.265 -2.802 1.00 0.00 N ATOM 708 CZ ARG A 45 3.027 -16.703 -2.749 1.00 0.00 C ATOM 709 NH1 ARG A 45 3.597 -16.438 -1.576 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.681 -16.425 -3.872 1.00 0.00 N ATOM 0 H ARG A 45 -2.415 -15.548 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.417 -15.571 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.145 -15.324 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.036 -15.249 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.978 -17.585 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.877 -17.636 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.483 -17.189 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.076 -18.718 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 45 1.414 -17.447 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.109 -16.664 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.522 -16.009 -1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.259 -16.641 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.605 -15.996 -3.831 1.00 0.00 H new ATOM 724 N PRO A 46 -2.236 -13.080 -0.433 1.00 0.00 N ATOM 725 CA PRO A 46 -2.287 -11.623 -0.264 1.00 0.00 C ATOM 726 C PRO A 46 -1.020 -10.930 -0.758 1.00 0.00 C ATOM 727 O PRO A 46 0.095 -11.373 -0.467 1.00 0.00 O ATOM 728 CB PRO A 46 -2.433 -11.443 1.248 1.00 0.00 C ATOM 729 CG PRO A 46 -3.010 -12.727 1.732 1.00 0.00 C ATOM 730 CD PRO A 46 -2.449 -13.790 0.838 1.00 0.00 C ATOM 0 HA PRO A 46 -3.097 -11.180 -0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.470 -11.241 1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.085 -10.602 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.741 -12.909 2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.099 -12.709 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.518 -14.198 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.140 -14.625 0.722 1.00 0.00 H new ATOM 738 N ALA A 47 -1.195 -9.847 -1.503 1.00 0.00 N ATOM 739 CA ALA A 47 -0.070 -9.087 -2.028 1.00 0.00 C ATOM 740 C ALA A 47 -0.464 -7.632 -2.241 1.00 0.00 C ATOM 741 O ALA A 47 -1.443 -7.334 -2.931 1.00 0.00 O ATOM 742 CB ALA A 47 0.430 -9.699 -3.330 1.00 0.00 C ATOM 0 H ALA A 47 -2.110 -9.474 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 47 0.739 -9.124 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.271 -9.117 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.751 -10.725 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.373 -9.694 -4.067 1.00 0.00 H new ATOM 748 N VAL A 48 0.318 -6.723 -1.690 1.00 0.00 N ATOM 749 CA VAL A 48 -0.011 -5.308 -1.748 1.00 0.00 C ATOM 750 C VAL A 48 1.028 -4.553 -2.572 1.00 0.00 C ATOM 751 O VAL A 48 2.226 -4.809 -2.468 1.00 0.00 O ATOM 752 CB VAL A 48 -0.122 -4.694 -0.326 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.191 -4.829 0.437 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.564 -3.237 -0.392 1.00 0.00 C ATOM 0 H VAL A 48 1.185 -6.937 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.983 -5.211 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.884 -5.253 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.082 -4.390 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.449 -5.884 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.982 -4.310 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.634 -2.832 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.163 -2.662 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.539 -3.174 -0.876 1.00 0.00 H new ATOM 764 N SER A 49 0.559 -3.655 -3.421 1.00 0.00 N ATOM 765 CA SER A 49 1.441 -2.886 -4.276 1.00 0.00 C ATOM 766 C SER A 49 1.443 -1.429 -3.842 1.00 0.00 C ATOM 767 O SER A 49 0.413 -0.757 -3.890 1.00 0.00 O ATOM 768 CB SER A 49 0.997 -3.009 -5.737 1.00 0.00 C ATOM 769 OG SER A 49 1.986 -2.515 -6.626 1.00 0.00 O ATOM 0 H SER A 49 -0.432 -3.441 -3.535 1.00 0.00 H new ATOM 0 HA SER A 49 2.454 -3.278 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.788 -4.054 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.068 -2.458 -5.883 1.00 0.00 H new ATOM 0 HG SER A 49 1.672 -2.610 -7.550 1.00 0.00 H new ATOM 775 N LEU A 50 2.594 -0.962 -3.393 1.00 0.00 N ATOM 776 CA LEU A 50 2.755 0.419 -2.973 1.00 0.00 C ATOM 777 C LEU A 50 3.395 1.222 -4.093 1.00 0.00 C ATOM 778 O LEU A 50 4.070 0.659 -4.956 1.00 0.00 O ATOM 779 CB LEU A 50 3.626 0.520 -1.711 1.00 0.00 C ATOM 780 CG LEU A 50 3.016 -0.029 -0.411 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.943 -1.548 -0.432 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.820 0.443 0.789 1.00 0.00 C ATOM 0 H LEU A 50 3.440 -1.526 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 50 1.768 0.820 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.561 -0.008 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.878 1.569 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 50 1.999 0.355 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.507 -1.904 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.323 -1.871 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.946 -1.959 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.377 0.047 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.847 0.089 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.814 1.532 0.826 1.00 0.00 H new ATOM 794 N LYS A 51 3.170 2.525 -4.085 1.00 0.00 N ATOM 795 CA LYS A 51 3.809 3.413 -5.042 1.00 0.00 C ATOM 796 C LYS A 51 5.248 3.671 -4.595 1.00 0.00 C ATOM 797 O LYS A 51 5.609 3.320 -3.469 1.00 0.00 O ATOM 798 CB LYS A 51 3.004 4.717 -5.163 1.00 0.00 C ATOM 799 CG LYS A 51 3.431 5.620 -6.314 1.00 0.00 C ATOM 800 CD LYS A 51 2.351 6.640 -6.651 1.00 0.00 C ATOM 801 CE LYS A 51 2.822 7.625 -7.709 1.00 0.00 C ATOM 802 NZ LYS A 51 1.697 8.420 -8.271 1.00 0.00 N ATOM 0 H LYS A 51 2.548 2.992 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 51 3.834 2.953 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.950 4.468 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.094 5.273 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.353 6.138 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.648 5.013 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.459 6.123 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.067 7.182 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.560 8.299 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.320 7.083 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.062 9.079 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.004 7.780 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.237 8.958 -7.509 1.00 0.00 H new ATOM 816 N THR A 52 6.055 4.256 -5.480 1.00 0.00 N ATOM 817 CA THR A 52 7.473 4.503 -5.219 1.00 0.00 C ATOM 818 C THR A 52 7.713 5.037 -3.805 1.00 0.00 C ATOM 819 O THR A 52 7.320 6.156 -3.470 1.00 0.00 O ATOM 820 CB THR A 52 8.040 5.506 -6.239 1.00 0.00 C ATOM 821 OG1 THR A 52 7.596 5.160 -7.560 1.00 0.00 O ATOM 822 CG2 THR A 52 9.562 5.517 -6.202 1.00 0.00 C ATOM 0 H THR A 52 5.744 4.572 -6.399 1.00 0.00 H new ATOM 0 HA THR A 52 7.984 3.545 -5.314 1.00 0.00 H new ATOM 0 HB THR A 52 7.678 6.500 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.958 5.802 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.939 6.234 -6.932 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.900 5.802 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.939 4.523 -6.442 1.00 0.00 H new ATOM 830 N SER A 53 8.352 4.215 -2.980 1.00 0.00 N ATOM 831 CA SER A 53 8.616 4.562 -1.595 1.00 0.00 C ATOM 832 C SER A 53 10.089 4.332 -1.269 1.00 0.00 C ATOM 833 O SER A 53 10.674 3.339 -1.708 1.00 0.00 O ATOM 834 CB SER A 53 7.727 3.722 -0.674 1.00 0.00 C ATOM 835 OG SER A 53 7.926 4.056 0.689 1.00 0.00 O ATOM 0 H SER A 53 8.698 3.295 -3.254 1.00 0.00 H new ATOM 0 HA SER A 53 8.388 5.616 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.681 3.876 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.942 2.664 -0.825 1.00 0.00 H new ATOM 0 HG SER A 53 7.512 4.924 0.877 1.00 0.00 H new ATOM 841 N PRO A 54 10.708 5.252 -0.506 1.00 0.00 N ATOM 842 CA PRO A 54 12.126 5.165 -0.138 1.00 0.00 C ATOM 843 C PRO A 54 12.507 3.802 0.438 1.00 0.00 C ATOM 844 O PRO A 54 13.289 3.071 -0.169 1.00 0.00 O ATOM 845 CB PRO A 54 12.291 6.258 0.918 1.00 0.00 C ATOM 846 CG PRO A 54 11.233 7.253 0.595 1.00 0.00 C ATOM 847 CD PRO A 54 10.075 6.465 0.046 1.00 0.00 C ATOM 0 HA PRO A 54 12.773 5.290 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.166 5.859 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.284 6.706 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.938 7.811 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.591 7.980 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.352 6.221 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.540 7.023 -0.723 1.00 0.00 H new ATOM 855 N GLU A 55 11.931 3.453 1.586 1.00 0.00 N ATOM 856 CA GLU A 55 12.281 2.213 2.280 1.00 0.00 C ATOM 857 C GLU A 55 11.902 0.977 1.470 1.00 0.00 C ATOM 858 O GLU A 55 12.601 -0.034 1.509 1.00 0.00 O ATOM 859 CB GLU A 55 11.615 2.148 3.658 1.00 0.00 C ATOM 860 CG GLU A 55 12.304 2.992 4.722 1.00 0.00 C ATOM 861 CD GLU A 55 12.302 4.470 4.403 1.00 0.00 C ATOM 862 OE1 GLU A 55 11.244 5.109 4.560 1.00 0.00 O ATOM 863 OE2 GLU A 55 13.358 4.999 3.998 1.00 0.00 O ATOM 0 H GLU A 55 11.219 4.011 2.057 1.00 0.00 H new ATOM 0 HA GLU A 55 13.364 2.219 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.579 2.475 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.593 1.110 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.809 2.833 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.334 2.653 4.835 1.00 0.00 H new ATOM 870 N LEU A 56 10.801 1.063 0.734 1.00 0.00 N ATOM 871 CA LEU A 56 10.351 -0.055 -0.089 1.00 0.00 C ATOM 872 C LEU A 56 11.346 -0.330 -1.208 1.00 0.00 C ATOM 873 O LEU A 56 11.659 -1.484 -1.501 1.00 0.00 O ATOM 874 CB LEU A 56 8.954 0.210 -0.667 1.00 0.00 C ATOM 875 CG LEU A 56 7.776 -0.102 0.267 1.00 0.00 C ATOM 876 CD1 LEU A 56 7.804 -1.562 0.691 1.00 0.00 C ATOM 877 CD2 LEU A 56 7.784 0.807 1.489 1.00 0.00 C ATOM 0 H LEU A 56 10.205 1.890 0.689 1.00 0.00 H new ATOM 0 HA LEU A 56 10.291 -0.937 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.895 1.259 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.839 -0.380 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 56 6.854 0.085 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.962 -1.765 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.734 -2.198 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.736 -1.771 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.938 0.561 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.712 0.665 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.708 1.846 1.170 1.00 0.00 H new ATOM 889 N ALA A 57 11.853 0.730 -1.818 1.00 0.00 N ATOM 890 CA ALA A 57 12.866 0.593 -2.852 1.00 0.00 C ATOM 891 C ALA A 57 14.202 0.188 -2.237 1.00 0.00 C ATOM 892 O ALA A 57 14.971 -0.561 -2.836 1.00 0.00 O ATOM 893 CB ALA A 57 13.004 1.890 -3.632 1.00 0.00 C ATOM 0 H ALA A 57 11.580 1.692 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 57 12.556 -0.191 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.766 1.772 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.051 2.137 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.295 2.693 -2.954 1.00 0.00 H new ATOM 899 N GLU A 58 14.467 0.688 -1.034 1.00 0.00 N ATOM 900 CA GLU A 58 15.679 0.346 -0.297 1.00 0.00 C ATOM 901 C GLU A 58 15.740 -1.143 -0.008 1.00 0.00 C ATOM 902 O GLU A 58 16.798 -1.766 -0.117 1.00 0.00 O ATOM 903 CB GLU A 58 15.734 1.123 1.014 1.00 0.00 C ATOM 904 CG GLU A 58 16.111 2.580 0.831 1.00 0.00 C ATOM 905 CD GLU A 58 17.455 2.739 0.165 1.00 0.00 C ATOM 906 OE1 GLU A 58 18.478 2.636 0.868 1.00 0.00 O ATOM 907 OE2 GLU A 58 17.495 2.959 -1.063 1.00 0.00 O ATOM 0 H GLU A 58 13.852 1.338 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 58 16.535 0.615 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.762 1.065 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.455 0.649 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.349 3.079 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.127 3.075 1.802 1.00 0.00 H new ATOM 914 N LEU A 59 14.596 -1.697 0.362 1.00 0.00 N ATOM 915 CA LEU A 59 14.466 -3.121 0.626 1.00 0.00 C ATOM 916 C LEU A 59 14.987 -3.943 -0.551 1.00 0.00 C ATOM 917 O LEU A 59 15.621 -4.972 -0.355 1.00 0.00 O ATOM 918 CB LEU A 59 12.998 -3.466 0.902 1.00 0.00 C ATOM 919 CG LEU A 59 12.721 -4.932 1.227 1.00 0.00 C ATOM 920 CD1 LEU A 59 13.390 -5.329 2.535 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.222 -5.186 1.290 1.00 0.00 C ATOM 0 H LEU A 59 13.731 -1.171 0.488 1.00 0.00 H new ATOM 0 HA LEU A 59 15.065 -3.366 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.649 -2.854 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.406 -3.186 0.030 1.00 0.00 H new ATOM 0 HG LEU A 59 13.142 -5.547 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.180 -6.377 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.467 -5.185 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.003 -4.710 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.040 -6.235 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.779 -4.561 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.771 -4.944 0.327 1.00 0.00 H new ATOM 933 N LEU A 60 14.738 -3.461 -1.767 1.00 0.00 N ATOM 934 CA LEU A 60 15.163 -4.155 -2.982 1.00 0.00 C ATOM 935 C LEU A 60 16.682 -4.086 -3.167 1.00 0.00 C ATOM 936 O LEU A 60 17.296 -5.016 -3.690 1.00 0.00 O ATOM 937 CB LEU A 60 14.458 -3.555 -4.203 1.00 0.00 C ATOM 938 CG LEU A 60 14.842 -4.165 -5.557 1.00 0.00 C ATOM 939 CD1 LEU A 60 14.487 -5.645 -5.602 1.00 0.00 C ATOM 940 CD2 LEU A 60 14.157 -3.416 -6.691 1.00 0.00 C ATOM 0 H LEU A 60 14.241 -2.587 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 60 14.886 -5.204 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.382 -3.663 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.670 -2.486 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 60 15.921 -4.070 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.768 -6.057 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.024 -6.172 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.414 -5.766 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.440 -3.862 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.076 -3.479 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.464 -2.370 -6.674 1.00 0.00 H new ATOM 952 N ARG A 61 17.284 -2.978 -2.753 1.00 0.00 N ATOM 953 CA ARG A 61 18.732 -2.815 -2.872 1.00 0.00 C ATOM 954 C ARG A 61 19.462 -3.632 -1.814 1.00 0.00 C ATOM 955 O ARG A 61 20.390 -4.382 -2.122 1.00 0.00 O ATOM 956 CB ARG A 61 19.153 -1.347 -2.741 1.00 0.00 C ATOM 957 CG ARG A 61 19.015 -0.522 -4.013 1.00 0.00 C ATOM 958 CD ARG A 61 17.567 -0.206 -4.336 1.00 0.00 C ATOM 959 NE ARG A 61 17.451 0.831 -5.362 1.00 0.00 N ATOM 960 CZ ARG A 61 16.906 2.030 -5.150 1.00 0.00 C ATOM 961 NH1 ARG A 61 16.456 2.351 -3.942 1.00 0.00 N ATOM 962 NH2 ARG A 61 16.825 2.911 -6.140 1.00 0.00 N ATOM 0 H ARG A 61 16.799 -2.184 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 61 19.005 -3.172 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.555 -0.882 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.192 -1.310 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 61 19.572 0.408 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 61 19.461 -1.065 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.065 -1.112 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.056 0.120 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 61 17.808 0.625 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.527 1.681 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.039 3.268 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.180 2.672 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.408 3.827 -5.975 1.00 0.00 H new ATOM 976 N GLN A 62 19.028 -3.487 -0.570 1.00 0.00 N ATOM 977 CA GLN A 62 19.707 -4.108 0.557 1.00 0.00 C ATOM 978 C GLN A 62 19.409 -5.603 0.650 1.00 0.00 C ATOM 979 O GLN A 62 20.329 -6.420 0.733 1.00 0.00 O ATOM 980 CB GLN A 62 19.326 -3.403 1.861 1.00 0.00 C ATOM 981 CG GLN A 62 20.127 -2.131 2.131 1.00 0.00 C ATOM 982 CD GLN A 62 19.274 -0.876 2.214 1.00 0.00 C ATOM 983 OE1 GLN A 62 18.754 -0.530 3.277 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.155 -0.166 1.104 1.00 0.00 N ATOM 0 H GLN A 62 18.204 -2.942 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 62 20.779 -4.000 0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.265 -3.154 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.468 -4.094 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.675 -2.249 3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.867 -2.004 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.600 -0.486 0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.618 0.701 1.108 1.00 0.00 H new ATOM 993 N GLN A 63 18.135 -5.969 0.632 1.00 0.00 N ATOM 994 CA GLN A 63 17.758 -7.371 0.748 1.00 0.00 C ATOM 995 C GLN A 63 17.251 -7.894 -0.589 1.00 0.00 C ATOM 996 O GLN A 63 16.795 -7.129 -1.436 1.00 0.00 O ATOM 997 CB GLN A 63 16.710 -7.574 1.848 1.00 0.00 C ATOM 998 CG GLN A 63 17.175 -7.091 3.212 1.00 0.00 C ATOM 999 CD GLN A 63 16.347 -7.650 4.350 1.00 0.00 C ATOM 1000 OE1 GLN A 63 15.332 -7.075 4.740 1.00 0.00 O ATOM 1001 NE2 GLN A 63 16.783 -8.773 4.902 1.00 0.00 N ATOM 0 H GLN A 63 17.352 -5.322 0.539 1.00 0.00 H new ATOM 0 HA GLN A 63 18.644 -7.940 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.797 -7.045 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.458 -8.633 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.218 -7.374 3.356 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.133 -6.002 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.630 -9.219 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.272 -9.191 5.679 1.00 0.00 H new ATOM 1010 N HIS A 64 17.362 -9.195 -0.799 1.00 0.00 N ATOM 1011 CA HIS A 64 17.025 -9.779 -2.091 1.00 0.00 C ATOM 1012 C HIS A 64 16.288 -11.097 -1.912 1.00 0.00 C ATOM 1013 O HIS A 64 16.388 -11.729 -0.857 1.00 0.00 O ATOM 1014 CB HIS A 64 18.292 -9.998 -2.935 1.00 0.00 C ATOM 1015 CG HIS A 64 19.027 -8.732 -3.263 1.00 0.00 C ATOM 1016 ND1 HIS A 64 18.900 -8.075 -4.465 1.00 0.00 N ATOM 1017 CD2 HIS A 64 19.889 -7.992 -2.523 1.00 0.00 C ATOM 1018 CE1 HIS A 64 19.645 -6.986 -4.448 1.00 0.00 C ATOM 1019 NE2 HIS A 64 20.257 -6.910 -3.281 1.00 0.00 N ATOM 0 H HIS A 64 17.680 -9.865 -0.099 1.00 0.00 H new ATOM 0 HA HIS A 64 16.371 -9.081 -2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.963 -10.668 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 64 18.017 -10.498 -3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 64 20.224 -8.214 -1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 64 19.739 -6.275 -5.255 1.00 0.00 H new ATOM 0 HE2 HIS A 64 20.897 -6.170 -2.991 1.00 0.00 H new ATOM 1028 N SER A 65 15.551 -11.499 -2.948 1.00 0.00 N ATOM 1029 CA SER A 65 14.813 -12.762 -2.953 1.00 0.00 C ATOM 1030 C SER A 65 13.732 -12.795 -1.863 1.00 0.00 C ATOM 1031 O SER A 65 13.322 -11.748 -1.354 1.00 0.00 O ATOM 1032 CB SER A 65 15.792 -13.930 -2.775 1.00 0.00 C ATOM 1033 OG SER A 65 16.847 -13.855 -3.722 1.00 0.00 O ATOM 0 H SER A 65 15.449 -10.958 -3.807 1.00 0.00 H new ATOM 0 HA SER A 65 14.305 -12.855 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.202 -13.915 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.261 -14.875 -2.890 1.00 0.00 H new ATOM 0 HG SER A 65 17.460 -14.608 -3.589 1.00 0.00 H new ATOM 1039 N ASP A 66 13.241 -14.002 -1.568 1.00 0.00 N ATOM 1040 CA ASP A 66 12.308 -14.248 -0.461 1.00 0.00 C ATOM 1041 C ASP A 66 10.909 -13.706 -0.761 1.00 0.00 C ATOM 1042 O ASP A 66 10.025 -14.457 -1.174 1.00 0.00 O ATOM 1043 CB ASP A 66 12.841 -13.665 0.854 1.00 0.00 C ATOM 1044 CG ASP A 66 11.944 -13.984 2.033 1.00 0.00 C ATOM 1045 OD1 ASP A 66 12.000 -15.127 2.534 1.00 0.00 O ATOM 1046 OD2 ASP A 66 11.186 -13.095 2.463 1.00 0.00 O ATOM 0 H ASP A 66 13.480 -14.843 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 66 12.226 -15.329 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.840 -14.058 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.937 -12.584 0.756 1.00 0.00 H new ATOM 1051 N VAL A 67 10.716 -12.408 -0.560 1.00 0.00 N ATOM 1052 CA VAL A 67 9.427 -11.777 -0.818 1.00 0.00 C ATOM 1053 C VAL A 67 9.221 -11.598 -2.322 1.00 0.00 C ATOM 1054 O VAL A 67 8.100 -11.682 -2.823 1.00 0.00 O ATOM 1055 CB VAL A 67 9.311 -10.415 -0.086 1.00 0.00 C ATOM 1056 CG1 VAL A 67 10.387 -9.442 -0.551 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.928 -9.815 -0.277 1.00 0.00 C ATOM 0 H VAL A 67 11.436 -11.771 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 67 8.645 -12.430 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 67 9.463 -10.598 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.278 -8.497 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.371 -9.863 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.283 -9.269 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.870 -8.860 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.743 -9.659 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.178 -10.495 0.126 1.00 0.00 H new ATOM 1116 N ARG A 71 7.717 -7.999 -11.411 1.00 0.00 N ATOM 1117 CA ARG A 71 7.086 -7.118 -12.379 1.00 0.00 C ATOM 1118 C ARG A 71 5.766 -7.718 -12.857 1.00 0.00 C ATOM 1119 O ARG A 71 5.672 -8.234 -13.969 1.00 0.00 O ATOM 1120 CB ARG A 71 8.006 -6.870 -13.583 1.00 0.00 C ATOM 1121 CG ARG A 71 7.515 -5.765 -14.509 1.00 0.00 C ATOM 1122 CD ARG A 71 7.675 -6.147 -15.975 1.00 0.00 C ATOM 1123 NE ARG A 71 6.830 -7.288 -16.329 1.00 0.00 N ATOM 1124 CZ ARG A 71 6.357 -7.524 -17.554 1.00 0.00 C ATOM 1125 NH1 ARG A 71 6.650 -6.707 -18.561 1.00 0.00 N ATOM 1126 NH2 ARG A 71 5.596 -8.590 -17.770 1.00 0.00 N ATOM 0 HA ARG A 71 6.894 -6.164 -11.888 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.002 -6.614 -13.222 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.102 -7.794 -14.153 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.466 -5.554 -14.300 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.070 -4.849 -14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.419 -5.294 -16.604 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.718 -6.390 -16.177 1.00 0.00 H new ATOM 0 HE ARG A 71 6.586 -7.947 -15.590 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.241 -5.891 -18.401 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.284 -6.896 -19.494 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.376 -9.224 -17.002 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.232 -8.776 -18.704 1.00 0.00 H new ATOM 1140 N HIS A 72 4.761 -7.694 -11.994 1.00 0.00 N ATOM 1141 CA HIS A 72 3.415 -8.107 -12.388 1.00 0.00 C ATOM 1142 C HIS A 72 2.608 -6.885 -12.796 1.00 0.00 C ATOM 1143 O HIS A 72 1.698 -6.967 -13.619 1.00 0.00 O ATOM 1144 CB HIS A 72 2.706 -8.869 -11.260 1.00 0.00 C ATOM 1145 CG HIS A 72 3.164 -10.290 -11.112 1.00 0.00 C ATOM 1146 ND1 HIS A 72 2.495 -11.356 -11.669 1.00 0.00 N ATOM 1147 CD2 HIS A 72 4.227 -10.818 -10.463 1.00 0.00 C ATOM 1148 CE1 HIS A 72 3.123 -12.474 -11.369 1.00 0.00 C ATOM 1149 NE2 HIS A 72 4.180 -12.180 -10.637 1.00 0.00 N ATOM 0 H HIS A 72 4.847 -7.396 -11.022 1.00 0.00 H new ATOM 0 HA HIS A 72 3.498 -8.787 -13.236 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.870 -8.344 -10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.632 -8.860 -11.447 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.975 -10.270 -9.910 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.823 -13.466 -11.672 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.850 -12.851 -10.263 1.00 0.00 H new ATOM 1158 N LEU A 73 2.964 -5.749 -12.215 1.00 0.00 N ATOM 1159 CA LEU A 73 2.360 -4.475 -12.570 1.00 0.00 C ATOM 1160 C LEU A 73 3.446 -3.518 -13.050 1.00 0.00 C ATOM 1161 O LEU A 73 3.486 -3.143 -14.221 1.00 0.00 O ATOM 1162 CB LEU A 73 1.617 -3.879 -11.369 1.00 0.00 C ATOM 1163 CG LEU A 73 0.450 -4.718 -10.843 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -0.113 -4.107 -9.570 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.635 -4.841 -11.901 1.00 0.00 C ATOM 0 H LEU A 73 3.676 -5.685 -11.488 1.00 0.00 H new ATOM 0 HA LEU A 73 1.638 -4.632 -13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.330 -3.729 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.240 -2.895 -11.647 1.00 0.00 H new ATOM 0 HG LEU A 73 0.819 -5.717 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.942 -4.716 -9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.667 -4.069 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.468 -3.097 -9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.457 -5.441 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.002 -3.849 -12.163 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.225 -5.322 -12.789 1.00 0.00 H new ATOM 1177 N ASN A 74 4.333 -3.149 -12.135 1.00 0.00 N ATOM 1178 CA ASN A 74 5.468 -2.292 -12.450 1.00 0.00 C ATOM 1179 C ASN A 74 6.455 -2.350 -11.289 1.00 0.00 C ATOM 1180 O ASN A 74 6.101 -2.031 -10.161 1.00 0.00 O ATOM 1181 CB ASN A 74 4.993 -0.856 -12.708 1.00 0.00 C ATOM 1182 CG ASN A 74 6.072 0.033 -13.299 1.00 0.00 C ATOM 1183 OD1 ASN A 74 7.243 -0.057 -12.935 1.00 0.00 O ATOM 1184 ND2 ASN A 74 5.679 0.891 -14.230 1.00 0.00 N ATOM 0 H ASN A 74 4.286 -3.434 -11.157 1.00 0.00 H new ATOM 0 HA ASN A 74 5.963 -2.639 -13.357 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.139 -0.879 -13.385 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.646 -0.421 -11.771 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.359 1.509 -14.674 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.697 0.933 -14.503 1.00 0.00 H new ATOM 1191 N LYS A 75 7.677 -2.786 -11.566 1.00 0.00 N ATOM 1192 CA LYS A 75 8.638 -3.092 -10.508 1.00 0.00 C ATOM 1193 C LYS A 75 9.426 -1.857 -10.062 1.00 0.00 C ATOM 1194 O LYS A 75 9.902 -1.794 -8.931 1.00 0.00 O ATOM 1195 CB LYS A 75 9.603 -4.182 -10.980 1.00 0.00 C ATOM 1196 CG LYS A 75 10.426 -4.800 -9.859 1.00 0.00 C ATOM 1197 CD LYS A 75 11.414 -5.830 -10.388 1.00 0.00 C ATOM 1198 CE LYS A 75 12.540 -5.175 -11.172 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.409 -6.179 -11.838 1.00 0.00 N ATOM 0 H LYS A 75 8.028 -2.936 -12.512 1.00 0.00 H new ATOM 0 HA LYS A 75 8.071 -3.445 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.034 -4.968 -11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.278 -3.759 -11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.967 -4.016 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.760 -5.272 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.831 -6.396 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.891 -6.542 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.119 -4.505 -11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.142 -4.563 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.164 -5.692 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.832 -6.802 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.840 -6.747 -12.498 1.00 0.00 H new ATOM 1213 N ALA A 76 9.582 -0.888 -10.953 1.00 0.00 N ATOM 1214 CA ALA A 76 10.381 0.294 -10.641 1.00 0.00 C ATOM 1215 C ALA A 76 9.509 1.473 -10.223 1.00 0.00 C ATOM 1216 O ALA A 76 9.932 2.322 -9.442 1.00 0.00 O ATOM 1217 CB ALA A 76 11.249 0.675 -11.828 1.00 0.00 C ATOM 0 H ALA A 76 9.173 -0.893 -11.887 1.00 0.00 H new ATOM 0 HA ALA A 76 11.022 0.043 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.838 1.558 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.917 -0.151 -12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.615 0.892 -12.688 1.00 0.00 H new ATOM 1223 N HIS A 77 8.296 1.537 -10.754 1.00 0.00 N ATOM 1224 CA HIS A 77 7.386 2.627 -10.418 1.00 0.00 C ATOM 1225 C HIS A 77 6.474 2.233 -9.263 1.00 0.00 C ATOM 1226 O HIS A 77 5.936 3.087 -8.561 1.00 0.00 O ATOM 1227 CB HIS A 77 6.563 3.040 -11.640 1.00 0.00 C ATOM 1228 CG HIS A 77 7.356 3.795 -12.664 1.00 0.00 C ATOM 1229 ND1 HIS A 77 8.197 3.188 -13.573 1.00 0.00 N ATOM 1230 CD2 HIS A 77 7.440 5.125 -12.911 1.00 0.00 C ATOM 1231 CE1 HIS A 77 8.763 4.109 -14.330 1.00 0.00 C ATOM 1232 NE2 HIS A 77 8.320 5.289 -13.950 1.00 0.00 N ATOM 0 H HIS A 77 7.920 0.855 -11.413 1.00 0.00 H new ATOM 0 HA HIS A 77 7.983 3.483 -10.103 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.141 2.148 -12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.725 3.656 -11.313 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.913 5.909 -12.388 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.470 3.926 -15.126 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.588 6.182 -14.362 1.00 0.00 H new ATOM 1241 N TRP A 78 6.318 0.931 -9.068 1.00 0.00 N ATOM 1242 CA TRP A 78 5.530 0.401 -7.966 1.00 0.00 C ATOM 1243 C TRP A 78 6.334 -0.675 -7.250 1.00 0.00 C ATOM 1244 O TRP A 78 7.377 -1.100 -7.734 1.00 0.00 O ATOM 1245 CB TRP A 78 4.203 -0.191 -8.468 1.00 0.00 C ATOM 1246 CG TRP A 78 3.279 0.810 -9.094 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.275 1.220 -10.396 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.220 1.522 -8.446 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.280 2.144 -10.596 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.618 2.347 -9.414 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.722 1.542 -7.142 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.547 3.185 -9.117 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.657 2.373 -6.848 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.081 3.184 -7.831 1.00 0.00 C ATOM 0 H TRP A 78 6.732 0.216 -9.666 1.00 0.00 H new ATOM 0 HA TRP A 78 5.299 1.215 -7.279 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.420 -0.973 -9.196 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.691 -0.667 -7.631 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.955 0.869 -11.158 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.068 2.605 -11.481 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.161 0.919 -6.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.100 3.813 -9.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.263 2.396 -5.843 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.749 3.823 -7.569 1.00 0.00 H new ATOM 1265 N SER A 79 5.868 -1.098 -6.095 1.00 0.00 N ATOM 1266 CA SER A 79 6.501 -2.194 -5.386 1.00 0.00 C ATOM 1267 C SER A 79 5.442 -3.134 -4.838 1.00 0.00 C ATOM 1268 O SER A 79 4.531 -2.714 -4.126 1.00 0.00 O ATOM 1269 CB SER A 79 7.372 -1.660 -4.253 1.00 0.00 C ATOM 1270 OG SER A 79 8.248 -0.647 -4.717 1.00 0.00 O ATOM 0 H SER A 79 5.054 -0.702 -5.625 1.00 0.00 H new ATOM 0 HA SER A 79 7.137 -2.743 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.739 -1.262 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.951 -2.476 -3.820 1.00 0.00 H new ATOM 0 HG SER A 79 8.794 -0.320 -3.972 1.00 0.00 H new ATOM 1276 N THR A 80 5.563 -4.401 -5.173 1.00 0.00 N ATOM 1277 CA THR A 80 4.591 -5.389 -4.751 1.00 0.00 C ATOM 1278 C THR A 80 5.164 -6.274 -3.654 1.00 0.00 C ATOM 1279 O THR A 80 6.117 -7.023 -3.872 1.00 0.00 O ATOM 1280 CB THR A 80 4.127 -6.258 -5.937 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.613 -5.422 -6.984 1.00 0.00 O ATOM 1282 CG2 THR A 80 3.049 -7.244 -5.506 1.00 0.00 C ATOM 0 H THR A 80 6.327 -4.773 -5.738 1.00 0.00 H new ATOM 0 HA THR A 80 3.727 -4.853 -4.358 1.00 0.00 H new ATOM 0 HB THR A 80 4.988 -6.819 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.321 -5.980 -7.735 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.741 -7.843 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.444 -7.898 -4.729 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.190 -6.697 -5.118 1.00 0.00 H new ATOM 1290 N VAL A 81 4.580 -6.170 -2.475 1.00 0.00 N ATOM 1291 CA VAL A 81 4.997 -6.972 -1.341 1.00 0.00 C ATOM 1292 C VAL A 81 4.077 -8.174 -1.194 1.00 0.00 C ATOM 1293 O VAL A 81 2.876 -8.021 -0.952 1.00 0.00 O ATOM 1294 CB VAL A 81 4.983 -6.154 -0.028 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.478 -6.994 1.143 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.817 -4.887 -0.180 1.00 0.00 C ATOM 0 H VAL A 81 3.809 -5.532 -2.277 1.00 0.00 H new ATOM 0 HA VAL A 81 6.019 -7.302 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 81 3.954 -5.863 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.458 -6.396 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.832 -7.863 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.498 -7.325 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.796 -4.324 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.846 -5.155 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.406 -4.275 -0.983 1.00 0.00 H new ATOM 1306 N TYR A 82 4.631 -9.361 -1.380 1.00 0.00 N ATOM 1307 CA TYR A 82 3.880 -10.588 -1.175 1.00 0.00 C ATOM 1308 C TYR A 82 3.647 -10.811 0.310 1.00 0.00 C ATOM 1309 O TYR A 82 4.535 -11.270 1.024 1.00 0.00 O ATOM 1310 CB TYR A 82 4.617 -11.789 -1.774 1.00 0.00 C ATOM 1311 CG TYR A 82 4.506 -11.896 -3.279 1.00 0.00 C ATOM 1312 CD1 TYR A 82 5.149 -10.993 -4.117 1.00 0.00 C ATOM 1313 CD2 TYR A 82 3.755 -12.910 -3.861 1.00 0.00 C ATOM 1314 CE1 TYR A 82 5.048 -11.100 -5.492 1.00 0.00 C ATOM 1315 CE2 TYR A 82 3.650 -13.025 -5.234 1.00 0.00 C ATOM 1316 CZ TYR A 82 4.295 -12.117 -6.045 1.00 0.00 C ATOM 1317 OH TYR A 82 4.198 -12.233 -7.416 1.00 0.00 O ATOM 0 H TYR A 82 5.598 -9.501 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 82 2.920 -10.489 -1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.671 -11.727 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.225 -12.702 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.737 -10.195 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.244 -13.621 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.555 -10.392 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.066 -13.822 -5.669 1.00 0.00 H new ATOM 0 HH TYR A 82 3.632 -13.001 -7.640 1.00 0.00 H new ATOM 1327 N LEU A 83 2.454 -10.459 0.766 1.00 0.00 N ATOM 1328 CA LEU A 83 2.095 -10.614 2.165 1.00 0.00 C ATOM 1329 C LEU A 83 1.974 -12.092 2.500 1.00 0.00 C ATOM 1330 O LEU A 83 2.390 -12.523 3.575 1.00 0.00 O ATOM 1331 CB LEU A 83 0.785 -9.880 2.462 1.00 0.00 C ATOM 1332 CG LEU A 83 0.812 -8.377 2.173 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.553 -7.757 2.428 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.878 -7.689 3.016 1.00 0.00 C ATOM 0 H LEU A 83 1.716 -10.063 0.184 1.00 0.00 H new ATOM 0 HA LEU A 83 2.876 -10.176 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.012 -10.335 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.531 -10.030 3.511 1.00 0.00 H new ATOM 0 HG LEU A 83 1.061 -8.235 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.512 -6.688 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.293 -8.227 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.833 -7.910 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.882 -6.621 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.660 -7.842 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.855 -8.111 2.782 1.00 0.00 H new ATOM 1346 N ASP A 84 1.392 -12.850 1.562 1.00 0.00 N ATOM 1347 CA ASP A 84 1.345 -14.319 1.617 1.00 0.00 C ATOM 1348 C ASP A 84 0.451 -14.847 2.743 1.00 0.00 C ATOM 1349 O ASP A 84 -0.490 -15.604 2.499 1.00 0.00 O ATOM 1350 CB ASP A 84 2.759 -14.891 1.765 1.00 0.00 C ATOM 1351 CG ASP A 84 2.763 -16.397 1.937 1.00 0.00 C ATOM 1352 OD1 ASP A 84 2.760 -17.115 0.913 1.00 0.00 O ATOM 1353 OD2 ASP A 84 2.765 -16.867 3.095 1.00 0.00 O ATOM 0 H ASP A 84 0.937 -12.459 0.737 1.00 0.00 H new ATOM 0 HA ASP A 84 0.906 -14.651 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.347 -14.628 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.246 -14.429 2.624 1.00 0.00 H new ATOM 1358 N GLY A 85 0.756 -14.448 3.962 1.00 0.00 N ATOM 1359 CA GLY A 85 0.067 -14.958 5.122 1.00 0.00 C ATOM 1360 C GLY A 85 1.049 -15.307 6.218 1.00 0.00 C ATOM 1361 O GLY A 85 0.761 -15.139 7.405 1.00 0.00 O ATOM 0 H GLY A 85 1.484 -13.765 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.642 -14.214 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.510 -15.842 4.849 1.00 0.00 H new ATOM 1365 N SER A 86 2.225 -15.772 5.809 1.00 0.00 N ATOM 1366 CA SER A 86 3.277 -16.150 6.744 1.00 0.00 C ATOM 1367 C SER A 86 4.127 -14.942 7.144 1.00 0.00 C ATOM 1368 O SER A 86 5.034 -15.059 7.972 1.00 0.00 O ATOM 1369 CB SER A 86 4.163 -17.237 6.124 1.00 0.00 C ATOM 1370 OG SER A 86 5.163 -17.667 7.035 1.00 0.00 O ATOM 0 H SER A 86 2.474 -15.897 4.828 1.00 0.00 H new ATOM 0 HA SER A 86 2.804 -16.540 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.547 -18.087 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.633 -16.854 5.218 1.00 0.00 H new ATOM 0 HG SER A 86 5.486 -16.900 7.553 1.00 0.00 H new ATOM 1376 N LEU A 87 3.844 -13.789 6.553 1.00 0.00 N ATOM 1377 CA LEU A 87 4.560 -12.566 6.895 1.00 0.00 C ATOM 1378 C LEU A 87 4.008 -11.967 8.189 1.00 0.00 C ATOM 1379 O LEU A 87 2.788 -11.913 8.391 1.00 0.00 O ATOM 1380 CB LEU A 87 4.480 -11.542 5.755 1.00 0.00 C ATOM 1381 CG LEU A 87 5.556 -11.666 4.664 1.00 0.00 C ATOM 1382 CD1 LEU A 87 6.937 -11.406 5.245 1.00 0.00 C ATOM 1383 CD2 LEU A 87 5.512 -13.034 4.001 1.00 0.00 C ATOM 0 H LEU A 87 3.127 -13.674 5.837 1.00 0.00 H new ATOM 0 HA LEU A 87 5.609 -12.821 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.501 -11.628 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.540 -10.542 6.186 1.00 0.00 H new ATOM 0 HG LEU A 87 5.348 -10.914 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.686 -11.498 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.972 -10.400 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.144 -12.133 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.284 -13.092 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.686 -13.807 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.534 -13.185 3.543 1.00 0.00 H new ATOM 1395 N PRO A 88 4.906 -11.517 9.082 1.00 0.00 N ATOM 1396 CA PRO A 88 4.528 -10.973 10.388 1.00 0.00 C ATOM 1397 C PRO A 88 3.759 -9.661 10.278 1.00 0.00 C ATOM 1398 O PRO A 88 4.066 -8.811 9.438 1.00 0.00 O ATOM 1399 CB PRO A 88 5.870 -10.740 11.088 1.00 0.00 C ATOM 1400 CG PRO A 88 6.861 -10.614 9.985 1.00 0.00 C ATOM 1401 CD PRO A 88 6.366 -11.507 8.884 1.00 0.00 C ATOM 0 HA PRO A 88 3.862 -11.650 10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.845 -9.839 11.701 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.119 -11.569 11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.938 -9.581 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.855 -10.916 10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.635 -11.120 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.788 -12.509 8.959 1.00 0.00 H new ATOM 1409 N ASP A 89 2.775 -9.497 11.148 1.00 0.00 N ATOM 1410 CA ASP A 89 1.947 -8.297 11.165 1.00 0.00 C ATOM 1411 C ASP A 89 2.775 -7.071 11.539 1.00 0.00 C ATOM 1412 O ASP A 89 2.497 -5.964 11.081 1.00 0.00 O ATOM 1413 CB ASP A 89 0.781 -8.465 12.149 1.00 0.00 C ATOM 1414 CG ASP A 89 1.241 -8.738 13.570 1.00 0.00 C ATOM 1415 OD1 ASP A 89 1.580 -9.906 13.873 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.267 -7.796 14.386 1.00 0.00 O ATOM 0 H ASP A 89 2.527 -10.186 11.859 1.00 0.00 H new ATOM 0 HA ASP A 89 1.545 -8.149 10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.170 -7.563 12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.145 -9.285 11.815 1.00 0.00 H new ATOM 1421 N SER A 90 3.811 -7.293 12.348 1.00 0.00 N ATOM 1422 CA SER A 90 4.678 -6.226 12.837 1.00 0.00 C ATOM 1423 C SER A 90 5.189 -5.346 11.695 1.00 0.00 C ATOM 1424 O SER A 90 5.113 -4.120 11.756 1.00 0.00 O ATOM 1425 CB SER A 90 5.861 -6.849 13.580 1.00 0.00 C ATOM 1426 OG SER A 90 5.442 -7.983 14.326 1.00 0.00 O ATOM 0 H SER A 90 4.071 -8.221 12.682 1.00 0.00 H new ATOM 0 HA SER A 90 4.100 -5.591 13.508 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.632 -7.141 12.867 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.307 -6.112 14.248 1.00 0.00 H new ATOM 0 HG SER A 90 6.212 -8.370 14.793 1.00 0.00 H new ATOM 1432 N GLN A 91 5.690 -5.988 10.648 1.00 0.00 N ATOM 1433 CA GLN A 91 6.255 -5.280 9.506 1.00 0.00 C ATOM 1434 C GLN A 91 5.155 -4.640 8.662 1.00 0.00 C ATOM 1435 O GLN A 91 5.290 -3.507 8.201 1.00 0.00 O ATOM 1436 CB GLN A 91 7.077 -6.250 8.653 1.00 0.00 C ATOM 1437 CG GLN A 91 7.723 -5.609 7.435 1.00 0.00 C ATOM 1438 CD GLN A 91 8.497 -6.612 6.604 1.00 0.00 C ATOM 1439 OE1 GLN A 91 7.950 -7.236 5.699 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.777 -6.773 6.901 1.00 0.00 N ATOM 0 H GLN A 91 5.717 -7.004 10.566 1.00 0.00 H new ATOM 0 HA GLN A 91 6.903 -4.486 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.856 -6.693 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.431 -7.064 8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.953 -5.146 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.394 -4.813 7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.196 -6.236 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.344 -7.434 6.370 1.00 0.00 H new ATOM 1449 N ILE A 92 4.060 -5.371 8.489 1.00 0.00 N ATOM 1450 CA ILE A 92 2.974 -4.947 7.612 1.00 0.00 C ATOM 1451 C ILE A 92 2.345 -3.631 8.073 1.00 0.00 C ATOM 1452 O ILE A 92 2.120 -2.733 7.259 1.00 0.00 O ATOM 1453 CB ILE A 92 1.886 -6.038 7.503 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.500 -7.332 6.957 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.743 -5.569 6.612 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.515 -8.473 6.827 1.00 0.00 C ATOM 0 H ILE A 92 3.900 -6.267 8.948 1.00 0.00 H new ATOM 0 HA ILE A 92 3.413 -4.785 6.628 1.00 0.00 H new ATOM 0 HB ILE A 92 1.481 -6.232 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.938 -7.130 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.314 -7.641 7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.013 -6.352 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.298 -4.668 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.125 -5.351 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.026 -9.352 6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.095 -8.704 7.806 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.713 -8.186 6.147 1.00 0.00 H new ATOM 1468 N TYR A 93 2.080 -3.506 9.374 1.00 0.00 N ATOM 1469 CA TYR A 93 1.472 -2.287 9.912 1.00 0.00 C ATOM 1470 C TYR A 93 2.334 -1.068 9.607 1.00 0.00 C ATOM 1471 O TYR A 93 1.823 -0.009 9.234 1.00 0.00 O ATOM 1472 CB TYR A 93 1.255 -2.386 11.427 1.00 0.00 C ATOM 1473 CG TYR A 93 0.275 -3.460 11.841 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.981 -3.552 11.251 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.607 -4.387 12.818 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.875 -4.538 11.625 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.278 -5.375 13.194 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.517 -5.448 12.596 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.398 -6.437 12.970 1.00 0.00 O ATOM 0 H TYR A 93 2.274 -4.226 10.070 1.00 0.00 H new ATOM 0 HA TYR A 93 0.503 -2.175 9.426 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.214 -2.579 11.909 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.900 -1.424 11.796 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.263 -2.841 10.488 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.576 -4.334 13.292 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.848 -4.595 11.159 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.001 -6.090 13.955 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.989 -6.994 13.665 1.00 0.00 H new ATOM 1489 N TYR A 94 3.644 -1.234 9.745 1.00 0.00 N ATOM 1490 CA TYR A 94 4.582 -0.143 9.517 1.00 0.00 C ATOM 1491 C TYR A 94 4.577 0.276 8.049 1.00 0.00 C ATOM 1492 O TYR A 94 4.673 1.463 7.731 1.00 0.00 O ATOM 1493 CB TYR A 94 5.994 -0.557 9.949 1.00 0.00 C ATOM 1494 CG TYR A 94 7.015 0.554 9.843 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.070 1.562 10.796 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.925 0.593 8.794 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.001 2.580 10.705 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.857 1.606 8.696 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.893 2.596 9.654 1.00 0.00 C ATOM 1500 OH TYR A 94 9.823 3.608 9.564 1.00 0.00 O ATOM 0 H TYR A 94 4.081 -2.116 10.014 1.00 0.00 H new ATOM 0 HA TYR A 94 4.268 0.711 10.117 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.960 -0.909 10.980 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.320 -1.397 9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.374 1.551 11.622 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.903 -0.182 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.029 3.358 11.453 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.555 1.623 7.872 1.00 0.00 H new ATOM 0 HH TYR A 94 10.377 3.473 8.767 1.00 0.00 H new ATOM 1510 N LEU A 95 4.457 -0.704 7.161 1.00 0.00 N ATOM 1511 CA LEU A 95 4.448 -0.442 5.726 1.00 0.00 C ATOM 1512 C LEU A 95 3.218 0.369 5.328 1.00 0.00 C ATOM 1513 O LEU A 95 3.305 1.272 4.495 1.00 0.00 O ATOM 1514 CB LEU A 95 4.483 -1.758 4.941 1.00 0.00 C ATOM 1515 CG LEU A 95 5.729 -2.618 5.164 1.00 0.00 C ATOM 1516 CD1 LEU A 95 5.635 -3.906 4.358 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.985 -1.845 4.791 1.00 0.00 C ATOM 0 H LEU A 95 4.364 -1.689 7.410 1.00 0.00 H new ATOM 0 HA LEU A 95 5.338 0.139 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.604 -2.345 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.404 -1.530 3.878 1.00 0.00 H new ATOM 0 HG LEU A 95 5.787 -2.875 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.528 -4.507 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.755 -4.468 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.554 -3.667 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.861 -2.472 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.937 -1.558 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.058 -0.950 5.409 1.00 0.00 H new ATOM 1529 N VAL A 96 2.083 0.050 5.943 1.00 0.00 N ATOM 1530 CA VAL A 96 0.833 0.740 5.653 1.00 0.00 C ATOM 1531 C VAL A 96 0.949 2.230 5.973 1.00 0.00 C ATOM 1532 O VAL A 96 0.671 3.082 5.123 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.345 0.132 6.450 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.639 0.883 6.170 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.505 -1.349 6.132 1.00 0.00 C ATOM 0 H VAL A 96 2.005 -0.684 6.647 1.00 0.00 H new ATOM 0 HA VAL A 96 0.634 0.615 4.589 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.119 0.232 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.451 0.435 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.524 1.927 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.870 0.825 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.339 -1.756 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.700 -1.473 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.410 -1.879 6.398 1.00 0.00 H new ATOM 1545 N ASP A 97 1.385 2.541 7.188 1.00 0.00 N ATOM 1546 CA ASP A 97 1.528 3.932 7.608 1.00 0.00 C ATOM 1547 C ASP A 97 2.623 4.640 6.829 1.00 0.00 C ATOM 1548 O ASP A 97 2.554 5.850 6.621 1.00 0.00 O ATOM 1549 CB ASP A 97 1.801 4.041 9.108 1.00 0.00 C ATOM 1550 CG ASP A 97 0.522 4.099 9.917 1.00 0.00 C ATOM 1551 OD1 ASP A 97 -0.114 5.180 9.954 1.00 0.00 O ATOM 1552 OD2 ASP A 97 0.135 3.074 10.509 1.00 0.00 O ATOM 0 H ASP A 97 1.644 1.855 7.896 1.00 0.00 H new ATOM 0 HA ASP A 97 0.579 4.424 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.395 3.186 9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.394 4.934 9.304 1.00 0.00 H new ATOM 1557 N ALA A 98 3.623 3.885 6.389 1.00 0.00 N ATOM 1558 CA ALA A 98 4.705 4.443 5.586 1.00 0.00 C ATOM 1559 C ALA A 98 4.156 5.059 4.305 1.00 0.00 C ATOM 1560 O ALA A 98 4.449 6.211 3.984 1.00 0.00 O ATOM 1561 CB ALA A 98 5.736 3.371 5.260 1.00 0.00 C ATOM 0 H ALA A 98 3.707 2.886 6.574 1.00 0.00 H new ATOM 0 HA ALA A 98 5.193 5.227 6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.536 3.806 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.152 2.973 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.259 2.566 4.700 1.00 0.00 H new ATOM 1567 N SER A 99 3.340 4.291 3.589 1.00 0.00 N ATOM 1568 CA SER A 99 2.724 4.767 2.359 1.00 0.00 C ATOM 1569 C SER A 99 1.642 5.807 2.652 1.00 0.00 C ATOM 1570 O SER A 99 1.461 6.761 1.893 1.00 0.00 O ATOM 1571 CB SER A 99 2.145 3.590 1.567 1.00 0.00 C ATOM 1572 OG SER A 99 1.461 2.679 2.415 1.00 0.00 O ATOM 0 H SER A 99 3.091 3.335 3.842 1.00 0.00 H new ATOM 0 HA SER A 99 3.493 5.249 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.461 3.964 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.949 3.070 1.046 1.00 0.00 H new ATOM 0 HG SER A 99 1.183 3.140 3.234 1.00 0.00 H new ATOM 1578 N TYR A 100 0.944 5.625 3.770 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.110 6.546 4.190 1.00 0.00 C ATOM 1580 C TYR A 100 0.467 7.931 4.484 1.00 0.00 C ATOM 1581 O TYR A 100 -0.102 8.946 4.082 1.00 0.00 O ATOM 1582 CB TYR A 100 -0.834 5.977 5.419 1.00 0.00 C ATOM 1583 CG TYR A 100 -1.687 6.971 6.178 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -2.920 7.385 5.687 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.258 7.487 7.392 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -3.699 8.286 6.392 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.029 8.387 8.099 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.245 8.784 7.595 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.013 9.679 8.303 1.00 0.00 O ATOM 0 H TYR A 100 1.091 4.842 4.406 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.831 6.655 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.466 5.149 5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.090 5.564 6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.275 6.998 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.303 7.179 7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.657 8.597 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.679 8.777 9.043 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.547 9.929 9.128 1.00 0.00 H new ATOM 1599 N GLN A 101 1.603 7.959 5.170 1.00 0.00 N ATOM 1600 CA GLN A 101 2.289 9.206 5.486 1.00 0.00 C ATOM 1601 C GLN A 101 2.634 9.947 4.194 1.00 0.00 C ATOM 1602 O GLN A 101 2.409 11.151 4.074 1.00 0.00 O ATOM 1603 CB GLN A 101 3.563 8.904 6.286 1.00 0.00 C ATOM 1604 CG GLN A 101 3.913 9.942 7.349 1.00 0.00 C ATOM 1605 CD GLN A 101 4.264 11.299 6.776 1.00 0.00 C ATOM 1606 OE1 GLN A 101 5.424 11.570 6.454 1.00 0.00 O ATOM 1607 NE2 GLN A 101 3.276 12.170 6.668 1.00 0.00 N ATOM 0 H GLN A 101 2.072 7.124 5.521 1.00 0.00 H new ATOM 0 HA GLN A 101 1.637 9.838 6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.450 7.934 6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.399 8.819 5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.069 10.051 8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.754 9.577 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.331 11.906 6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.459 13.106 6.307 1.00 0.00 H new ATOM 1616 N GLN A 102 3.148 9.201 3.216 1.00 0.00 N ATOM 1617 CA GLN A 102 3.524 9.770 1.925 1.00 0.00 C ATOM 1618 C GLN A 102 2.334 10.440 1.253 1.00 0.00 C ATOM 1619 O GLN A 102 2.455 11.543 0.725 1.00 0.00 O ATOM 1620 CB GLN A 102 4.077 8.688 1.000 1.00 0.00 C ATOM 1621 CG GLN A 102 5.286 7.963 1.561 1.00 0.00 C ATOM 1622 CD GLN A 102 5.793 6.877 0.633 1.00 0.00 C ATOM 1623 OE1 GLN A 102 6.982 6.572 0.612 1.00 0.00 O ATOM 1624 NE2 GLN A 102 4.893 6.283 -0.140 1.00 0.00 N ATOM 0 H GLN A 102 3.313 8.198 3.296 1.00 0.00 H new ATOM 0 HA GLN A 102 4.294 10.518 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.291 7.961 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.347 9.141 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.084 8.682 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.027 7.522 2.524 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.914 6.566 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.180 5.544 -0.782 1.00 0.00 H new ATOM 1633 N ALA A 103 1.189 9.766 1.283 1.00 0.00 N ATOM 1634 CA ALA A 103 -0.022 10.274 0.650 1.00 0.00 C ATOM 1635 C ALA A 103 -0.395 11.644 1.196 1.00 0.00 C ATOM 1636 O ALA A 103 -0.718 12.555 0.437 1.00 0.00 O ATOM 1637 CB ALA A 103 -1.169 9.298 0.847 1.00 0.00 C ATOM 0 H ALA A 103 1.075 8.862 1.742 1.00 0.00 H new ATOM 0 HA ALA A 103 0.174 10.379 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.067 9.690 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.910 8.338 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.354 9.164 1.913 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.327 11.785 2.514 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.653 13.045 3.168 1.00 0.00 C ATOM 1645 C VAL A 104 0.309 14.148 2.728 1.00 0.00 C ATOM 1646 O VAL A 104 -0.098 15.289 2.511 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.616 12.904 4.707 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.007 14.207 5.387 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.524 11.773 5.168 1.00 0.00 C ATOM 0 H VAL A 104 -0.048 11.040 3.152 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.666 13.316 2.869 1.00 0.00 H new ATOM 0 HB VAL A 104 0.408 12.665 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.972 14.078 6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.312 14.994 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.018 14.485 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.482 11.692 6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.549 11.980 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.193 10.835 4.721 1.00 0.00 H new ATOM 1659 N ASN A 105 1.581 13.794 2.572 1.00 0.00 N ATOM 1660 CA ASN A 105 2.598 14.757 2.154 1.00 0.00 C ATOM 1661 C ASN A 105 2.379 15.185 0.708 1.00 0.00 C ATOM 1662 O ASN A 105 2.716 16.307 0.324 1.00 0.00 O ATOM 1663 CB ASN A 105 4.008 14.170 2.297 1.00 0.00 C ATOM 1664 CG ASN A 105 4.353 13.788 3.725 1.00 0.00 C ATOM 1665 OD1 ASN A 105 3.838 14.366 4.681 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.240 12.818 3.880 1.00 0.00 N ATOM 0 H ASN A 105 1.933 12.849 2.728 1.00 0.00 H new ATOM 0 HA ASN A 105 2.507 15.626 2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.094 13.289 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.736 14.897 1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.518 12.526 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.645 12.362 3.062 1.00 0.00 H new ATOM 1673 N LEU A 106 1.808 14.288 -0.088 1.00 0.00 N ATOM 1674 CA LEU A 106 1.596 14.541 -1.509 1.00 0.00 C ATOM 1675 C LEU A 106 0.304 15.314 -1.755 1.00 0.00 C ATOM 1676 O LEU A 106 0.006 15.692 -2.890 1.00 0.00 O ATOM 1677 CB LEU A 106 1.560 13.223 -2.283 1.00 0.00 C ATOM 1678 CG LEU A 106 2.849 12.398 -2.232 1.00 0.00 C ATOM 1679 CD1 LEU A 106 2.674 11.087 -2.983 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.015 13.192 -2.804 1.00 0.00 C ATOM 0 H LEU A 106 1.482 13.375 0.228 1.00 0.00 H new ATOM 0 HA LEU A 106 2.429 15.149 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.743 12.615 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.328 13.439 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 106 3.069 12.169 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.600 10.514 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.868 10.512 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.428 11.294 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.922 12.589 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.804 13.453 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.155 14.103 -2.222 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.463 15.538 -0.700 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.715 16.269 -0.812 1.00 0.00 C ATOM 1694 C LEU A 107 -1.478 17.769 -0.691 1.00 0.00 C ATOM 1695 O LEU A 107 -0.678 18.214 0.133 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.704 15.807 0.260 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.195 14.369 0.112 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.137 14.010 1.247 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.881 14.180 -1.230 1.00 0.00 C ATOM 0 H LEU A 107 -0.240 15.224 0.244 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.139 16.063 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.233 15.915 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.567 16.472 0.247 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.334 13.702 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.477 12.982 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.615 14.110 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.996 14.681 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.225 13.150 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.734 14.855 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.177 14.399 -2.033 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.154 18.564 -1.538 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.093 20.027 -1.478 1.00 0.00 C ATOM 1713 C PRO A 108 -2.671 20.575 -0.175 1.00 0.00 C ATOM 1714 O PRO A 108 -3.228 19.825 0.634 1.00 0.00 O ATOM 1715 CB PRO A 108 -2.948 20.481 -2.671 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.052 19.286 -3.555 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.003 18.096 -2.643 1.00 0.00 C ATOM 0 HA PRO A 108 -1.066 20.389 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.933 20.816 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.483 21.317 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -3.980 19.302 -4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.234 19.260 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.996 17.811 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.576 17.224 -3.139 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.559 21.886 0.001 1.00 0.00 N ATOM 1726 CA GLU A 109 -2.973 22.553 1.229 1.00 0.00 C ATOM 1727 C GLU A 109 -4.426 22.234 1.564 1.00 0.00 C ATOM 1728 O GLU A 109 -4.733 21.801 2.674 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.795 24.065 1.076 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.542 24.784 2.384 1.00 0.00 C ATOM 1731 CD GLU A 109 -1.289 24.288 3.067 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -0.206 24.345 2.448 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -1.379 23.820 4.220 1.00 0.00 O ATOM 0 H GLU A 109 -2.178 22.517 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.349 22.190 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.962 24.257 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.688 24.482 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.455 25.855 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.396 24.644 3.046 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.298 22.433 0.578 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.729 22.181 0.710 1.00 0.00 C ATOM 1742 C GLU A 110 -7.008 20.807 1.313 1.00 0.00 C ATOM 1743 O GLU A 110 -7.773 20.670 2.267 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.356 22.257 -0.677 1.00 0.00 C ATOM 1745 CG GLU A 110 -8.847 22.010 -0.708 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.331 21.667 -2.099 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.262 22.536 -2.992 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -9.748 20.513 -2.318 1.00 0.00 O ATOM 0 H GLU A 110 -5.027 22.777 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.156 22.929 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.155 23.242 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.867 21.528 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.095 21.197 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.370 22.897 -0.350 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.360 19.799 0.750 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.607 18.416 1.125 1.00 0.00 C ATOM 1757 C LYS A 111 -6.102 18.124 2.533 1.00 0.00 C ATOM 1758 O LYS A 111 -6.810 17.528 3.346 1.00 0.00 O ATOM 1759 CB LYS A 111 -5.941 17.466 0.125 1.00 0.00 C ATOM 1760 CG LYS A 111 -6.667 17.351 -1.215 1.00 0.00 C ATOM 1761 CD LYS A 111 -6.552 18.622 -2.045 1.00 0.00 C ATOM 1762 CE LYS A 111 -7.241 18.486 -3.395 1.00 0.00 C ATOM 1763 NZ LYS A 111 -8.712 18.298 -3.266 1.00 0.00 N ATOM 0 H LYS A 111 -5.652 19.915 0.025 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.685 18.256 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.921 17.805 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.873 16.475 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.255 16.513 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.719 17.129 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.992 19.455 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.500 18.861 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.042 19.376 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.815 17.639 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.154 18.363 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.908 17.363 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.103 19.037 -2.647 1.00 0.00 H new ATOM 1777 N ARG A 112 -4.877 18.554 2.810 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.254 18.320 4.107 1.00 0.00 C ATOM 1779 C ARG A 112 -5.064 18.942 5.243 1.00 0.00 C ATOM 1780 O ARG A 112 -5.242 18.320 6.290 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.823 18.860 4.121 1.00 0.00 C ATOM 1782 CG ARG A 112 -1.868 18.089 3.220 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.436 18.566 3.393 1.00 0.00 C ATOM 1784 NE ARG A 112 0.034 18.390 4.769 1.00 0.00 N ATOM 1785 CZ ARG A 112 1.207 18.829 5.223 1.00 0.00 C ATOM 1786 NH1 ARG A 112 2.062 19.431 4.404 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.533 18.644 6.495 1.00 0.00 N ATOM 0 H ARG A 112 -4.293 19.069 2.151 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.228 17.242 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.836 19.905 3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.445 18.834 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.929 17.025 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.170 18.209 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.215 18.016 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.368 19.618 3.117 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.577 17.899 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.822 19.560 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.958 19.765 4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.886 18.167 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.430 18.979 6.845 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.575 20.155 5.026 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.344 20.864 6.043 1.00 0.00 C ATOM 1803 C LYS A 113 -7.541 20.039 6.511 1.00 0.00 C ATOM 1804 O LYS A 113 -7.926 20.095 7.680 1.00 0.00 O ATOM 1805 CB LYS A 113 -6.838 22.200 5.490 1.00 0.00 C ATOM 1806 CG LYS A 113 -5.734 23.189 5.145 1.00 0.00 C ATOM 1807 CD LYS A 113 -4.967 23.651 6.374 1.00 0.00 C ATOM 1808 CE LYS A 113 -3.922 24.690 6.002 1.00 0.00 C ATOM 1809 NZ LYS A 113 -3.182 25.197 7.187 1.00 0.00 N ATOM 0 H LYS A 113 -5.468 20.667 4.150 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.687 21.036 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.431 22.011 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.503 22.658 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.042 22.727 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.168 24.054 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.660 24.071 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.484 22.797 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.216 24.255 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.407 25.524 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.481 25.903 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.850 25.637 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.696 24.407 7.657 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.122 19.280 5.592 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.280 18.465 5.879 1.00 0.00 C ATOM 1825 C LEU A 114 -8.917 17.285 6.777 1.00 0.00 C ATOM 1826 O LEU A 114 -9.586 17.024 7.777 1.00 0.00 O ATOM 1827 CB LEU A 114 -9.864 17.959 4.567 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.403 19.041 3.628 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -10.862 18.425 2.316 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.545 19.804 4.285 1.00 0.00 C ATOM 0 H LEU A 114 -7.798 19.216 4.627 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.015 19.072 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.095 17.395 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.672 17.263 4.793 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.597 19.744 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.242 19.208 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.021 17.925 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.652 17.700 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.913 20.568 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.353 19.113 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.188 20.278 5.199 1.00 0.00 H new ATOM 1842 N LEU A 115 -7.845 16.587 6.422 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.435 15.386 7.143 1.00 0.00 C ATOM 1844 C LEU A 115 -6.996 15.707 8.570 1.00 0.00 C ATOM 1845 O LEU A 115 -7.095 14.865 9.459 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.308 14.668 6.399 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.654 14.191 4.988 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.517 13.357 4.421 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.952 13.397 4.992 1.00 0.00 C ATOM 0 H LEU A 115 -7.242 16.832 5.637 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.303 14.728 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.451 15.339 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.997 13.806 6.990 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.794 15.065 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.776 13.024 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.609 13.959 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.349 12.489 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.180 13.067 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.845 12.528 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.762 14.026 5.359 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.520 16.927 8.785 1.00 0.00 N ATOM 1862 CA VAL A 116 -6.085 17.355 10.113 1.00 0.00 C ATOM 1863 C VAL A 116 -7.272 17.421 11.080 1.00 0.00 C ATOM 1864 O VAL A 116 -7.122 17.228 12.289 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.374 18.730 10.057 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -4.950 19.186 11.448 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -4.164 18.669 9.140 1.00 0.00 C ATOM 0 H VAL A 116 -6.425 17.638 8.060 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.373 16.614 10.477 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.084 19.455 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -4.454 20.154 11.378 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -5.830 19.275 12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -4.263 18.456 11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.678 19.644 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.462 17.923 9.513 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.483 18.395 8.134 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.456 17.678 10.541 1.00 0.00 N ATOM 1878 CA GLN A 117 -9.657 17.788 11.344 1.00 0.00 C ATOM 1879 C GLN A 117 -10.154 16.417 11.801 1.00 0.00 C ATOM 1880 O GLN A 117 -10.773 16.291 12.859 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.745 18.493 10.539 1.00 0.00 C ATOM 1882 CG GLN A 117 -10.400 19.920 10.132 1.00 0.00 C ATOM 1883 CD GLN A 117 -10.188 20.851 11.313 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -9.726 20.443 12.380 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -10.531 22.112 11.129 1.00 0.00 N ATOM 0 H GLN A 117 -8.606 17.815 9.541 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.419 18.370 12.235 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.950 17.911 9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.663 18.507 11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.497 19.907 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.201 20.315 9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.910 22.412 10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.417 22.787 11.885 1.00 0.00 H new ATOM 1894 N LEU A 118 -9.870 15.399 11.002 1.00 0.00 N ATOM 1895 CA LEU A 118 -10.360 14.049 11.262 1.00 0.00 C ATOM 1896 C LEU A 118 -9.507 13.345 12.314 1.00 0.00 C ATOM 1897 O LEU A 118 -10.019 13.073 13.421 1.00 0.00 O ATOM 1898 CB LEU A 118 -10.373 13.237 9.964 1.00 0.00 C ATOM 1899 CG LEU A 118 -11.240 13.819 8.844 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.115 12.982 7.583 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -12.693 13.900 9.283 1.00 0.00 C ATOM 0 H LEU A 118 -9.298 15.482 10.161 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.376 14.125 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.350 13.146 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.723 12.229 10.187 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.887 14.827 8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.738 13.411 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.075 12.971 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.442 11.963 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.295 14.316 8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.055 12.902 9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.773 14.541 10.161 1.00 0.00 H new